 Entering Gaussian System, Link 0=g16
 Input=14_bornylOAc_STD_wB97XD-def2SVPDr.in
 Output=14_bornylOAc_STD_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/14_bornylOAc_STD/Gau-41222.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_def2SVPD/14_bornylOAc_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     41223.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=14_bornylOAc_STD_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 20:01:10 2021, MaxMem= 17179869184 cpu:               1.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "14_bornylOAc_STD_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.240639000000     -1.220521000000     -1.593952000000
  C                                                -0.772379000000     -1.711714000000     -0.196556000000
  C                                                -1.356487000000      0.301932000000     -1.398559000000
  C                                                 0.077396000000      0.849484000000     -1.275021000000
  C                                                 0.495406000000      0.398364000000      0.144405000000
  C                                                -0.704790000000     -0.420476000000      0.653009000000
  H                                                -2.195583000000     -1.663465000000     -1.875848000000
  H                                                -0.528201000000     -1.466626000000     -2.381766000000
  H                                                 0.193323000000     -2.210778000000     -0.227221000000
  H                                                -1.481233000000     -2.413249000000      0.242895000000
  C                                                -1.888350000000      0.419572000000      0.056917000000
  H                                                -1.959508000000      0.805110000000     -2.154682000000
  H                                                 0.128882000000      1.932113000000     -1.369936000000
  H                                                 0.741881000000      0.427523000000     -2.028774000000
  H                                                 0.689863000000      1.251037000000      0.790022000000
  O                                                 1.689332000000     -0.414672000000      0.164040000000
  C                                                -0.691646000000     -0.656663000000      2.148773000000
  C                                                -3.263934000000     -0.215407000000      0.272245000000
  C                                                -1.976808000000      1.860613000000      0.570939000000
  H                                                 0.188258000000     -1.234779000000      2.438218000000
  H                                                -1.573690000000     -1.214726000000      2.468040000000
  H                                                -0.666490000000      0.284659000000      2.701973000000
  H                                                -3.312198000000     -1.262484000000     -0.016360000000
  H                                                -4.016543000000      0.322861000000     -0.308315000000
  H                                                -3.555175000000     -0.148366000000      1.322428000000
  H                                                -1.062281000000      2.434735000000      0.442068000000
  H                                                -2.228382000000      1.873406000000      1.633417000000
  H                                                -2.771733000000      2.392658000000      0.043778000000
  C                                                 2.862479000000      0.235712000000      0.052007000000
  C                                                 4.017566000000     -0.727490000000      0.101407000000
  O                                                 2.958317000000      1.430494000000     -0.072931000000
  H                                                 3.985571000000     -1.302060000000      1.027842000000
  H                                                 4.952347000000     -0.178454000000      0.034385000000
  H                                                 3.942814000000     -1.436137000000     -0.724719000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     34 NQM=       34 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1          16          12          12          12           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250  15.9949146  12.0000000  12.0000000  12.0000000   1.0078250
 NucSpn=           0           1           1           1           1           0           0           0           0           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   5.6000000   3.6000000   3.6000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   8.0000000   6.0000000   6.0000000   6.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12          12
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000
 NucSpn=           1           1           1           1           1           1           1           1           0           0
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000

  Atom        31          32          33          34
 IAtWgt=          16           1           1           1
 AtmWgt=  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1
 AtZEff=   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   8.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 20:01:10 2021, MaxMem= 17179869184 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.240639   -1.220521   -1.593952
      2          6           0       -0.772379   -1.711714   -0.196556
      3          6           0       -1.356487    0.301932   -1.398559
      4          6           0        0.077396    0.849484   -1.275021
      5          6           0        0.495406    0.398364    0.144405
      6          6           0       -0.704790   -0.420476    0.653009
      7          1           0       -2.195583   -1.663465   -1.875848
      8          1           0       -0.528201   -1.466626   -2.381766
      9          1           0        0.193323   -2.210778   -0.227221
     10          1           0       -1.481233   -2.413249    0.242895
     11          6           0       -1.888350    0.419572    0.056917
     12          1           0       -1.959508    0.805110   -2.154682
     13          1           0        0.128882    1.932113   -1.369936
     14          1           0        0.741881    0.427523   -2.028774
     15          1           0        0.689863    1.251037    0.790022
     16          8           0        1.689332   -0.414672    0.164040
     17          6           0       -0.691646   -0.656663    2.148773
     18          6           0       -3.263934   -0.215407    0.272245
     19          6           0       -1.976808    1.860613    0.570939
     20          1           0        0.188258   -1.234779    2.438218
     21          1           0       -1.573690   -1.214726    2.468040
     22          1           0       -0.666490    0.284659    2.701973
     23          1           0       -3.312198   -1.262484   -0.016360
     24          1           0       -4.016543    0.322861   -0.308315
     25          1           0       -3.555175   -0.148366    1.322428
     26          1           0       -1.062281    2.434735    0.442068
     27          1           0       -2.228382    1.873406    1.633417
     28          1           0       -2.771733    2.392658    0.043778
     29          6           0        2.862479    0.235712    0.052007
     30          6           0        4.017566   -0.727490    0.101407
     31          8           0        2.958317    1.430494   -0.072931
     32          1           0        3.985571   -1.302060    1.027842
     33          1           0        4.952347   -0.178454    0.034385
     34          1           0        3.942814   -1.436137   -0.724719
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.553465   0.000000
     3  C    1.539306   2.416767   0.000000
     4  C    2.474642   2.906018   1.539836   0.000000
     5  C    2.942197   2.485148   2.412373   1.546936   0.000000
     6  C    2.444594   1.547134   2.270576   2.437604   1.539366
     7  H    1.089763   2.201785   2.189674   3.441270   3.946389
     8  H    1.090315   2.212427   2.186447   2.637423   3.302650
     9  H    2.214680   1.087468   3.176107   3.236746   2.652731
    10  H    2.203291   1.089836   3.175239   3.921584   3.438309
    11  C    2.415534   2.419095   1.554068   2.413098   2.385455
    12  H    2.221345   3.402637   1.090204   2.219178   3.387897
    13  H    3.444542   3.932756   2.205591   1.088001   2.186311
    14  H    2.614480   3.197865   2.194560   1.089833   2.187306
    15  H    3.939387   3.448098   3.142966   2.191064   1.087054
    16  O    3.510649   2.805774   3.497463   2.503463   1.444601
    17  C    3.824568   2.572979   3.734231   3.818674   2.557277
    18  C    2.930302   2.943901   2.587968   3.833081   3.811259
    19  C    3.836937   3.847235   2.587123   2.941038   2.903781
    20  H    4.277890   2.844701   4.412321   4.259646   2.832503
    21  H    4.075627   2.826512   4.159088   4.582309   3.504639
    22  H    4.588048   3.521106   4.158216   4.085202   2.811420
    23  H    2.604211   2.585529   2.860538   4.187360   4.157176
    24  H    3.426446   3.831003   2.874886   4.239362   4.535233
    25  H    3.874515   3.534872   3.527147   4.575808   4.253688
    26  H    4.187850   4.205345   2.832545   2.600054   2.581046
    27  H    4.578639   4.280401   3.524572   3.850200   3.436848
    28  H    4.252231   4.571766   2.907644   3.498307   3.829038
    29  C    4.654608   4.131155   4.461861   3.145538   2.374453
    30  C    5.546714   4.899087   5.673628   4.461652   3.697973
    31  O    5.193517   4.879226   4.652792   3.175264   2.679264
    32  H    5.847540   4.930016   6.082581   5.020573   3.981602
    33  H    6.487716   5.930996   6.487333   5.151344   4.495458
    34  H    5.260251   4.752678   5.617609   4.524196   4.000674
                    6          7          8          9         10
     6  C    0.000000
     7  H    3.187884   0.000000
     8  H    3.214883   1.753528   0.000000
     9  H    2.187828   2.953709   2.390904   0.000000
    10  H    2.177660   2.358293   2.948425   1.751040   0.000000
    11  C    1.569019   2.858149   3.369707   3.366428   2.867962
    12  H    3.310515   2.495464   2.694623   4.176765   4.041653
    13  H    3.212785   4.311295   3.606520   4.298081   4.906716
    14  H    3.162897   3.608921   2.307707   3.241472   4.262945
    15  H    2.181235   4.891522   4.350817   3.642183   4.294182
    16  O    2.443552   4.562148   3.536268   2.370047   3.748735
    17  C    1.514354   4.412828   4.605273   2.973851   2.709504
    18  C    2.595429   2.802240   4.011678   4.022884   2.830087
    19  C    2.613070   4.295783   4.678402   4.682174   4.314986
    20  H    2.155828   4.947488   4.878454   2.838515   2.999239
    21  H    2.163367   4.411063   4.967607   3.373260   2.529086
    22  H    2.167242   5.204782   5.378710   3.942926   3.740264
    23  H    2.820569   2.205745   3.658888   3.637637   2.178051
    24  H    3.527662   3.117458   4.435087   4.914150   3.770667
    25  H    2.940554   3.791172   4.961999   4.550406   3.255199
    26  H    2.885225   4.842763   4.845606   4.858527   4.870127
    27  H    2.923085   4.982517   5.492552   5.099724   4.568062
    28  H    3.543605   4.524273   5.080430   5.482392   4.980139
    29  C    3.676574   5.736505   4.507540   3.631484   5.091293
    30  C    4.764364   6.587018   5.232253   4.114970   5.753138
    31  O    4.167905   6.275809   5.087222   4.574698   5.880792
    32  H    4.787189   6.838764   5.659209   4.096596   5.633545
    33  H    5.696005   7.546334   6.126465   5.181418   6.813864
    34  H    4.952769   6.249535   4.768303   3.860862   5.595651
                   11         12         13         14         15
    11  C    0.000000
    12  H    2.246080   0.000000
    13  H    2.897053   2.499467   0.000000
    14  H    3.356827   2.730554   1.753176   0.000000
    15  H    2.806414   3.986138   2.333234   2.937089   0.000000
    16  O    3.675221   4.492034   3.208658   2.532862   2.040926
    17  C    2.639364   4.718472   4.444811   4.547786   2.719208
    18  C    1.530293   2.938189   4.338179   4.664183   4.248654
    19  C    1.532528   2.922909   2.864618   4.025360   2.744215
    20  H    3.566479   5.465233   4.953258   4.798308   3.024473
    21  H    2.929753   5.059462   5.247038   5.317912   3.744249
    22  H    2.916756   5.052708   4.463985   4.938004   2.535574
    23  H    2.205000   3.267589   4.886579   4.831303   4.794219
    24  H    2.161470   2.805892   4.571792   5.060981   4.921190
    25  H    2.168497   3.942786   5.014927   5.479680   4.501348
    26  H    2.211699   3.194339   2.225951   3.659093   2.142947
    27  H    2.171315   3.945028   3.818412   4.932006   3.100776
    28  H    2.161853   2.830767   3.259487   4.527992   3.720595
    29  C    4.754388   5.333409   3.517421   2.977142   2.509146
    30  C    6.016442   6.569948   4.935605   4.074535   3.932222
    31  O    4.952677   5.376783   3.152705   3.121516   2.433675
    32  H    6.197553   7.064884   5.575237   4.780783   4.175710
    33  H    6.866824   7.316635   5.449076   4.727775   4.558860
    34  H    6.169042   6.473437   5.129083   3.926800   4.482972
                   16         17         18         19         20
    16  O    0.000000
    17  C    3.109145   0.000000
    18  C    4.958453   3.214456   0.000000
    19  C    4.333944   3.236955   2.460848   0.000000
    20  H    2.845643   1.091892   4.200975   4.213751   0.000000
    21  H    4.073796   1.091498   2.945688   3.635823   1.762314
    22  H    3.532714   1.092131   3.591707   2.956665   1.763194
    23  H    5.076084   3.452841   1.087195   3.447016   4.275385
    24  H    5.772702   4.248728   1.092338   2.701534   5.258330
    25  H    5.377512   3.023410   1.091879   2.663076   4.054451
    26  H    3.970868   3.550627   3.449546   1.087467   4.360481
    27  H    4.768947   3.004729   2.699685   1.091931   4.018540
    28  H    5.272254   4.249250   2.663919   1.092189   5.258630
    29  C    1.346040   4.221915   6.146946   5.131110   3.873991
    30  C    2.349990   5.135504   7.301483   6.546087   4.514602
    31  O    2.251914   4.755462   6.445506   4.995501   4.591598
    32  H    2.608893   4.852771   7.369333   6.764704   4.051330
    33  H    3.274122   6.045989   8.219806   7.242850   5.439741
    34  H    2.628966   5.508426   7.377082   6.898494   4.913391
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.768019   0.000000
    23  H    3.032645   4.096676   0.000000
    24  H    4.004978   4.504015   1.759164   0.000000
    25  H    2.525041   3.230349   1.758593   1.759045   0.000000
    26  H    4.205314   3.144304   4.352208   3.708200   3.696210
    27  H    3.265238   2.470918   3.705432   3.061378   2.438166
    28  H    4.508389   3.992707   3.695373   2.440816   2.950514
    29  C    5.255529   4.413427   6.354203   6.889004   6.553455
    30  C    6.091018   5.452318   7.350206   8.112830   7.692378
    31  O    5.830335   4.706618   6.824565   7.066182   6.845831
    32  H    5.743447   5.192501   7.372202   8.274026   7.634176
    33  H    7.041711   6.237133   8.335490   8.989424   8.604527
    34  H    6.377660   5.995752   7.291579   8.162036   7.878388
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.759032   0.000000
    28  H    1.755742   1.758353   0.000000
    29  C    4.515705   5.576716   6.032978   0.000000
    30  C    5.993377   6.937116   7.472163   1.504800   0.000000
    31  O    4.175995   5.478106   5.811442   1.205113   2.410248
    32  H    6.307740   7.004535   7.764051   2.139704   1.090613
    33  H    6.570442   7.637402   8.140769   2.130585   1.086162
    34  H    6.433974   7.389015   7.767587   2.136704   1.090987
                   31         32         33         34
    31  O    0.000000
    32  H    3.119904   0.000000
    33  H    2.564447   1.784406   0.000000
    34  H    3.100264   1.758202   1.782460   0.000000
 Stoichiometry    C12H20O2
 Framework group  C1[X(C12H20O2)]
 Deg. of freedom    96
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.09D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.240639   -1.220521   -1.593952
      2          6           0       -0.772379   -1.711714   -0.196556
      3          6           0       -1.356487    0.301932   -1.398559
      4          6           0        0.077396    0.849484   -1.275021
      5          6           0        0.495406    0.398364    0.144405
      6          6           0       -0.704790   -0.420476    0.653009
      7          1           0       -2.195583   -1.663465   -1.875848
      8          1           0       -0.528201   -1.466626   -2.381766
      9          1           0        0.193323   -2.210778   -0.227221
     10          1           0       -1.481233   -2.413249    0.242895
     11          6           0       -1.888350    0.419572    0.056917
     12          1           0       -1.959508    0.805110   -2.154682
     13          1           0        0.128882    1.932113   -1.369936
     14          1           0        0.741881    0.427523   -2.028774
     15          1           0        0.689863    1.251037    0.790022
     16          8           0        1.689332   -0.414672    0.164040
     17          6           0       -0.691646   -0.656663    2.148773
     18          6           0       -3.263934   -0.215407    0.272245
     19          6           0       -1.976808    1.860613    0.570939
     20          1           0        0.188258   -1.234779    2.438218
     21          1           0       -1.573690   -1.214726    2.468040
     22          1           0       -0.666490    0.284659    2.701973
     23          1           0       -3.312198   -1.262484   -0.016360
     24          1           0       -4.016543    0.322861   -0.308315
     25          1           0       -3.555175   -0.148366    1.322428
     26          1           0       -1.062281    2.434735    0.442068
     27          1           0       -2.228382    1.873406    1.633417
     28          1           0       -2.771733    2.392658    0.043778
     29          6           0        2.862479    0.235712    0.052007
     30          6           0        4.017566   -0.727490    0.101407
     31          8           0        2.958317    1.430494   -0.072931
     32          1           0        3.985571   -1.302060    1.027842
     33          1           0        4.952347   -0.178454    0.034385
     34          1           0        3.942814   -1.436137   -0.724719
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.2924380           0.4724883           0.4648286
 Leave Link  202 at Thu Jul 22 20:01:10 2021, MaxMem= 17179869184 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       7      8      9     10     12     13     14     15     20     21
 Centers:      22     23     24     25     26     27     28     32     33     34
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6     11     17     18     19
 Centers:      29     30
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      16     31
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   474 symmetry adapted cartesian basis functions of A   symmetry.
 There are   446 symmetry adapted basis functions of A   symmetry.
   446 basis functions,   654 primitive gaussians,   474 cartesian basis functions
    54 alpha electrons       54 beta electrons
       nuclear repulsion energy      1014.9172554271 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   34 NActive=   34 NUniq=   34 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0311356954 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1014.8861197317 Hartrees.
 Leave Link  301 at Thu Jul 22 20:01:11 2021, MaxMem= 17179869184 cpu:               6.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   446 RedAO= T EigKep=  4.62D-06  NBF=   446
 NBsUse=   446 1.00D-06 EigRej= -1.00D+00 NBFU=   446
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   474   474   474   474   474 MxSgAt=    34 MxSgA2=    34.
 Leave Link  302 at Thu Jul 22 20:01:12 2021, MaxMem= 17179869184 cpu:               6.0 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 20:01:12 2021, MaxMem= 17179869184 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "14_bornylOAc_STD_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 20:01:13 2021, MaxMem= 17179869184 cpu:               6.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179409434 LenY= 17179184284
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -619.202080102825    
 DIIS: error= 3.35D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -619.202080102825     IErMin= 1 ErrMin= 3.35D-03
 ErrMax= 3.35D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-02 BMatP= 1.66D-02
 IDIUse=3 WtCom= 9.67D-01 WtEn= 3.35D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.442 Goal=   None    Shift=    0.000
 GapD=    0.442 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.10D-02 MaxDP=1.59D+00              OVMax= 1.19D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.91D-03    CP:  1.17D+00
 E= -619.214821522264     Delta-E=       -0.012741419440 Rises=F Damp=F
 DIIS: error= 5.58D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -619.214821522264     IErMin= 2 ErrMin= 5.58D-04
 ErrMax= 5.58D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.43D-04 BMatP= 1.66D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.58D-03
 Coeff-Com: -0.125D-01 0.101D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.125D-01 0.101D+01
 Gap=     0.444 Goal=   None    Shift=    0.000
 RMSDP=1.51D-03 MaxDP=2.45D-01 DE=-1.27D-02 OVMax= 5.79D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.42D-04    CP:  1.20D+00  1.10D+00
 E= -619.215179665288     Delta-E=       -0.000358143024 Rises=F Damp=F
 DIIS: error= 4.81D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -619.215179665288     IErMin= 3 ErrMin= 4.81D-04
 ErrMax= 4.81D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.48D-04 BMatP= 4.43D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.81D-03
 Coeff-Com: -0.404D-01 0.480D+00 0.561D+00
 Coeff-En:   0.000D+00 0.540D-01 0.946D+00
 Coeff:     -0.402D-01 0.478D+00 0.562D+00
 Gap=     0.440 Goal=   None    Shift=    0.000
 RMSDP=1.29D-04 MaxDP=9.78D-03 DE=-3.58D-04 OVMax= 2.26D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.04D-04    CP:  1.21D+00  1.10D+00  1.04D+00
 E= -619.215421318279     Delta-E=       -0.000241652991 Rises=F Damp=F
 DIIS: error= 7.79D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -619.215421318279     IErMin= 4 ErrMin= 7.79D-05
 ErrMax= 7.79D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-05 BMatP= 3.48D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.114D-01 0.668D-01 0.162D+00 0.782D+00
 Coeff:     -0.114D-01 0.668D-01 0.162D+00 0.782D+00
 Gap=     0.439 Goal=   None    Shift=    0.000
 RMSDP=4.65D-05 MaxDP=2.39D-03 DE=-2.42D-04 OVMax= 6.77D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.62D-05    CP:  1.21D+00  1.10D+00  1.08D+00  9.84D-01
 E= -619.215430649979     Delta-E=       -0.000009331700 Rises=F Damp=F
 DIIS: error= 3.32D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -619.215430649979     IErMin= 5 ErrMin= 3.32D-05
 ErrMax= 3.32D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.70D-06 BMatP= 1.13D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.773D-03-0.315D-01-0.168D-01 0.279D+00 0.769D+00
 Coeff:      0.773D-03-0.315D-01-0.168D-01 0.279D+00 0.769D+00
 Gap=     0.439 Goal=   None    Shift=    0.000
 RMSDP=2.00D-05 MaxDP=2.12D-03 DE=-9.33D-06 OVMax= 2.39D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.41D-05    CP:  1.21D+00  1.10D+00  1.10D+00  9.87D-01  1.04D+00
 E= -619.215432243862     Delta-E=       -0.000001593883 Rises=F Damp=F
 DIIS: error= 7.30D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -619.215432243862     IErMin= 6 ErrMin= 7.30D-06
 ErrMax= 7.30D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.40D-08 BMatP= 1.70D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.784D-03-0.144D-01-0.145D-01 0.610D-01 0.266D+00 0.701D+00
 Coeff:      0.784D-03-0.144D-01-0.145D-01 0.610D-01 0.266D+00 0.701D+00
 Gap=     0.439 Goal=   None    Shift=    0.000
 RMSDP=4.73D-06 MaxDP=7.09D-04 DE=-1.59D-06 OVMax= 9.18D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.15D-06    CP:  1.21D+00  1.10D+00  1.10D+00  9.92D-01  1.06D+00
                    CP:  1.01D+00
 E= -619.215432309045     Delta-E=       -0.000000065183 Rises=F Damp=F
 DIIS: error= 5.06D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -619.215432309045     IErMin= 7 ErrMin= 5.06D-06
 ErrMax= 5.06D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.15D-08 BMatP= 9.40D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.338D-03-0.436D-02-0.597D-02 0.368D-02 0.605D-01 0.401D+00
 Coeff-Com:  0.545D+00
 Coeff:      0.338D-03-0.436D-02-0.597D-02 0.368D-02 0.605D-01 0.401D+00
 Coeff:      0.545D+00
 Gap=     0.439 Goal=   None    Shift=    0.000
 RMSDP=1.70D-06 MaxDP=1.85D-04 DE=-6.52D-08 OVMax= 3.14D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.02D-06    CP:  1.21D+00  1.10D+00  1.10D+00  9.92D-01  1.06D+00
                    CP:  1.06D+00  1.10D+00
 E= -619.215432333060     Delta-E=       -0.000000024015 Rises=F Damp=F
 DIIS: error= 7.46D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -619.215432333060     IErMin= 8 ErrMin= 7.46D-07
 ErrMax= 7.46D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.49D-10 BMatP= 3.15D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.238D-05 0.540D-03 0.112D-03-0.617D-02-0.165D-01 0.270D-01
 Coeff-Com:  0.124D+00 0.871D+00
 Coeff:      0.238D-05 0.540D-03 0.112D-03-0.617D-02-0.165D-01 0.270D-01
 Coeff:      0.124D+00 0.871D+00
 Gap=     0.439 Goal=   None    Shift=    0.000
 RMSDP=7.51D-07 MaxDP=3.91D-05 DE=-2.40D-08 OVMax= 1.23D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.91D-07    CP:  1.21D+00  1.10D+00  1.10D+00  9.89D-01  1.07D+00
                    CP:  1.09D+00  1.11D+00  1.24D+00
 E= -619.215432334128     Delta-E=       -0.000000001068 Rises=F Damp=F
 DIIS: error= 3.74D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -619.215432334128     IErMin= 9 ErrMin= 3.74D-07
 ErrMax= 3.74D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.87D-10 BMatP= 7.49D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.357D-04 0.700D-03 0.694D-03-0.311D-02-0.141D-01-0.318D-01
 Coeff-Com: -0.129D-01 0.367D+00 0.694D+00
 Coeff:     -0.357D-04 0.700D-03 0.694D-03-0.311D-02-0.141D-01-0.318D-01
 Coeff:     -0.129D-01 0.367D+00 0.694D+00
 Gap=     0.439 Goal=   None    Shift=    0.000
 RMSDP=2.30D-07 MaxDP=1.54D-05 DE=-1.07D-09 OVMax= 4.03D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.44D-07    CP:  1.21D+00  1.10D+00  1.10D+00  9.89D-01  1.07D+00
                    CP:  1.09D+00  1.15D+00  1.29D+00  1.09D+00
 E= -619.215432334361     Delta-E=       -0.000000000232 Rises=F Damp=F
 DIIS: error= 8.65D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -619.215432334361     IErMin=10 ErrMin= 8.65D-08
 ErrMax= 8.65D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.28D-12 BMatP= 1.87D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.854D-05 0.126D-03 0.149D-03-0.219D-03-0.200D-02-0.900D-02
 Coeff-Com: -0.163D-01 0.145D-01 0.178D+00 0.835D+00
 Coeff:     -0.854D-05 0.126D-03 0.149D-03-0.219D-03-0.200D-02-0.900D-02
 Coeff:     -0.163D-01 0.145D-01 0.178D+00 0.835D+00
 Gap=     0.439 Goal=   None    Shift=    0.000
 RMSDP=6.82D-08 MaxDP=7.82D-06 DE=-2.32D-10 OVMax= 1.52D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.85D-08    CP:  1.21D+00  1.10D+00  1.10D+00  9.89D-01  1.07D+00
                    CP:  1.09D+00  1.15D+00  1.33D+00  1.16D+00  1.07D+00
 E= -619.215432334375     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 2.07D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -619.215432334375     IErMin=11 ErrMin= 2.07D-08
 ErrMax= 2.07D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.13D-12 BMatP= 9.28D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.844D-06-0.327D-04-0.278D-04 0.258D-03 0.813D-03 0.870D-03
 Coeff-Com: -0.407D-02-0.322D-01-0.224D-01 0.237D+00 0.820D+00
 Coeff:      0.844D-06-0.327D-04-0.278D-04 0.258D-03 0.813D-03 0.870D-03
 Coeff:     -0.407D-02-0.322D-01-0.224D-01 0.237D+00 0.820D+00
 Gap=     0.439 Goal=   None    Shift=    0.000
 RMSDP=2.63D-08 MaxDP=5.11D-06 DE=-1.43D-11 OVMax= 6.72D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.46D-08    CP:  1.21D+00  1.10D+00  1.10D+00  9.89D-01  1.07D+00
                    CP:  1.09D+00  1.15D+00  1.33D+00  1.17D+00  1.13D+00
                    CP:  9.78D-01
 E= -619.215432334377     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 7.66D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -619.215432334377     IErMin=12 ErrMin= 7.66D-09
 ErrMax= 7.66D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-13 BMatP= 1.13D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.126D-05-0.247D-04-0.266D-04 0.112D-03 0.471D-03 0.132D-02
 Coeff-Com:  0.314D-03-0.113D-01-0.277D-01-0.180D-01 0.245D+00 0.810D+00
 Coeff:      0.126D-05-0.247D-04-0.266D-04 0.112D-03 0.471D-03 0.132D-02
 Coeff:      0.314D-03-0.113D-01-0.277D-01-0.180D-01 0.245D+00 0.810D+00
 Gap=     0.439 Goal=   None    Shift=    0.000
 RMSDP=7.28D-09 MaxDP=9.23D-07 DE=-2.50D-12 OVMax= 2.99D-07

 SCF Done:  E(RwB97XD) =  -619.215432334     A.U. after   12 cycles
            NFock= 12  Conv=0.73D-08     -V/T= 2.0117
 KE= 6.120319658724D+02 PE=-3.466467059966D+03 EE= 1.220333542027D+03
 Leave Link  502 at Thu Jul 22 20:04:40 2021, MaxMem= 17179869184 cpu:            2481.8 elap:             207.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   446
 NBasis=   446 NAE=    54 NBE=    54 NFC=     0 NFV=     0
 NROrb=    446 NOA=    54 NOB=    54 NVA=   392 NVB=   392

 **** Warning!!: The largest alpha MO coefficient is  0.94183062D+02

 Leave Link  801 at Thu Jul 22 20:04:41 2021, MaxMem= 17179869184 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10301 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          34
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.53D-13 8.33D-09 XBig12= 1.00D+00 1.59D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.53D-13 8.33D-09 XBig12= 2.05D-01 4.30D-02.
     11 vectors produced by pass  2 Test12= 3.53D-13 8.33D-09 XBig12= 4.46D-02 2.79D-02.
     11 vectors produced by pass  3 Test12= 3.53D-13 8.33D-09 XBig12= 2.81D-03 7.63D-03.
     11 vectors produced by pass  4 Test12= 3.53D-13 8.33D-09 XBig12= 3.54D-04 2.29D-03.
     11 vectors produced by pass  5 Test12= 3.53D-13 8.33D-09 XBig12= 6.11D-05 9.10D-04.
     11 vectors produced by pass  6 Test12= 3.53D-13 8.33D-09 XBig12= 4.30D-06 1.87D-04.
     11 vectors produced by pass  7 Test12= 3.53D-13 8.33D-09 XBig12= 1.51D-07 4.84D-05.
     11 vectors produced by pass  8 Test12= 3.53D-13 8.33D-09 XBig12= 4.21D-09 6.12D-06.
     11 vectors produced by pass  9 Test12= 3.53D-13 8.33D-09 XBig12= 8.28D-11 8.79D-07.
      9 vectors produced by pass 10 Test12= 3.53D-13 8.33D-09 XBig12= 1.84D-12 1.16D-07.
      2 vectors produced by pass 11 Test12= 3.53D-13 8.33D-09 XBig12= 4.45D-14 1.85D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.160611D+03
      2 -0.187265D+01  0.136043D+03
      3 -0.757708D+00 -0.409959D+00  0.130132D+03
 Isotropic polarizability for W=    0.085645      142.26 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.103596D+02  0.460295D+01 -0.336220D+00
      2   0.977448D+01  0.457029D+01 -0.113360D+02
      3   0.585071D+00 -0.917324D+01  0.116722D+02
      4  -0.917378D+01 -0.491154D+02 -0.131362D+02
      5   0.756160D+01 -0.121479D+02 -0.990324D+02
      6  -0.542034D+01  0.162292D+01 -0.314030D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.150819D+00  0.100343D+01  0.768180D+01
      2  -0.447078D+00 -0.438153D+01 -0.474064D+02
      3  -0.501174D+01  0.220014D+02  0.350759D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.988334D+00  0.129589D+02  0.222297D+02
      2  -0.789782D+01 -0.771590D+01 -0.996175D+02
      3  -0.137767D+02  0.588899D+02  0.672757D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.189886D+00  0.493552D+00  0.389112D+00
      2   0.493552D+00 -0.250589D+00  0.126031D+01
      3   0.389112D+00  0.126031D+01 -0.584283D+00
 OR G Eigenvalues:    -1.6895    -0.4836     1.1483  Iso=     0.3416
 Eigenvectors:
   (1)   0.024269  -0.663373   0.747895
   (2)   0.904997  -0.303258  -0.298352
   (3)   0.424724   0.684084   0.592991
 w=    0.085645 a.u., Optical Rotation Beta=      0.3416 au.
 Molar Mass =    196.2888 grams/mole, [Alpha] ( 5320.0 A) =       82.53 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   99681 ScalPx= 7.17D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   99681 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.87D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 5.88D-14 2.78D-09 XBig12= 1.00D+00 2.86D-01.
     30 vectors produced by pass  1 Test12= 5.88D-14 2.78D-09 XBig12= 5.09D-02 3.28D-02.
     30 vectors produced by pass  2 Test12= 5.88D-14 2.78D-09 XBig12= 3.58D-03 5.97D-03.
     30 vectors produced by pass  3 Test12= 5.88D-14 2.78D-09 XBig12= 9.34D-05 1.47D-03.
     30 vectors produced by pass  4 Test12= 5.88D-14 2.78D-09 XBig12= 1.99D-06 1.21D-04.
     30 vectors produced by pass  5 Test12= 5.88D-14 2.78D-09 XBig12= 3.06D-08 1.80D-05.
     30 vectors produced by pass  6 Test12= 5.88D-14 2.78D-09 XBig12= 3.30D-10 1.68D-06.
     30 vectors produced by pass  7 Test12= 5.88D-14 2.78D-09 XBig12= 3.47D-12 1.66D-07.
     23 vectors produced by pass  8 Test12= 5.88D-14 2.78D-09 XBig12= 3.30D-14 1.61D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   263 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   99681 ScalPx= 4.04D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   99681 ScalPx= 4.04D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   99681 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.46D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.160611D+03 -0.187265D+01 -0.757708D+00
      2  -0.187265D+01  0.136043D+03 -0.409959D+00
      3  -0.757708D+00 -0.409959D+00  0.130132D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.150819D+00  0.100343D+01  0.768180D+01
      2  -0.447078D+00 -0.438153D+01 -0.474064D+02
      3  -0.501174D+01  0.220014D+02  0.350759D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.103596D+02  0.460295D+01 -0.336220D+00
      2   0.977448D+01  0.457029D+01 -0.113360D+02
      3   0.585071D+00 -0.917324D+01  0.116722D+02
      4  -0.917378D+01 -0.491154D+02 -0.131362D+02
      5   0.756160D+01 -0.121479D+02 -0.990324D+02
      6  -0.542034D+01  0.162292D+01 -0.314030D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.255452D+01  0.284149D+01  0.326610D+01  0.233496D+01  0.693058D+00
      2   0.284149D+01  0.818558D+00  0.260730D+00  0.693058D+00 -0.313943D+01
      3   0.326610D+01  0.260730D+00 -0.351710D+01  0.634044D+00 -0.689358D-01
                 6             7             8             9            10 
      1   0.634044D+00  0.200207D+01  0.407394D+00 -0.316207D+01 -0.158274D+01
      2  -0.689358D-01  0.407394D+00  0.859565D-02  0.262523D+01  0.366473D+01
      3   0.251188D+01 -0.316207D+01  0.262523D+01  0.328545D+00 -0.128805D+01
                11            12            13            14            15 
      1   0.366473D+01 -0.128805D+01  0.350869D+01  0.350326D+00 -0.131607D+01
      2   0.357868D+00 -0.136019D+01  0.350326D+00  0.209000D+00 -0.292125D+01
      3  -0.136019D+01  0.193085D+01 -0.131607D+01 -0.292125D+01 -0.258077D+01
                16            17            18            19            20 
      1  -0.702032D+00 -0.160568D+01  0.138410D+01 -0.127723D+01 -0.337026D+01
      2  -0.160568D+01 -0.271329D+01 -0.159563D+01 -0.337026D+01  0.413500D+00
      3   0.138410D+01 -0.159563D+01  0.187598D+01  0.268488D+00 -0.121950D+01
                21            22            23            24            25 
      1   0.268488D+00 -0.373336D+01  0.401139D+00 -0.144526D+01 -0.441532D+00
      2  -0.121950D+01  0.401139D+00  0.349009D+01  0.194012D+01 -0.118482D+01
      3   0.450620D+01 -0.144526D+01  0.194012D+01 -0.244613D+01  0.548454D+01
                26            27            28            29            30 
      1  -0.118482D+01  0.548454D+01  0.932489D+00  0.185092D+01  0.140969D+01
      2   0.918568D+00 -0.321867D+01  0.185092D+01 -0.278583D+00  0.718651D-01
      3  -0.321867D+01 -0.115281D+01  0.140969D+01  0.718651D-01 -0.330672D+01
                31            32            33            34            35 
      1   0.255456D+01 -0.779899D+00 -0.167718D+00  0.144321D+00  0.366484D+00
      2  -0.779899D+00 -0.468845D+01  0.108454D+01  0.366484D+00  0.429216D+00
      3  -0.167718D+00  0.108454D+01  0.227686D+01 -0.354674D+01  0.180374D+01
                36            37            38            39            40 
      1  -0.354674D+01 -0.541202D+01  0.151383D+01 -0.126784D+01  0.269824D+01
      2   0.180374D+01  0.151383D+01  0.558373D+00 -0.100675D+01 -0.224910D+00
      3  -0.467167D+00 -0.126784D+01 -0.100675D+01  0.277851D+01 -0.106972D+01
                41            42            43            44            45 
      1  -0.224910D+00 -0.106972D+01  0.516992D+00 -0.797142D+00  0.141730D+01
      2  -0.927494D+00 -0.222688D+01 -0.797142D+00 -0.147354D+01 -0.166266D+01
      3  -0.222688D+01 -0.269096D+01  0.141730D+01 -0.166266D+01  0.157226D+01
                46            47            48            49            50 
      1   0.202805D+01 -0.442114D+01  0.300579D+01 -0.586294D+01  0.101868D+01
      2  -0.442114D+01  0.104354D+01  0.481955D+00  0.101868D+01  0.452254D+00
      3   0.300579D+01  0.481955D+00  0.420759D+00  0.461781D+00  0.360274D+01
                51            52            53            54            55 
      1   0.461781D+00  0.328820D+01 -0.285621D-01  0.216746D-01 -0.565248D+01
      2   0.360274D+01 -0.285621D-01  0.410102D+01  0.168850D+01 -0.258414D+01
      3   0.141070D+01  0.216746D-01  0.168850D+01 -0.333481D+01 -0.255173D+01
                56            57            58            59            60 
      1  -0.258414D+01 -0.255173D+01 -0.211809D+01 -0.188946D+01 -0.106501D+01
      2  -0.249744D+01 -0.150168D+01 -0.188946D+01 -0.196366D+01 -0.120067D+01
      3  -0.150168D+01 -0.234411D+01 -0.106501D+01 -0.120067D+01 -0.147109D+01
                61            62            63            64            65 
      1  -0.144829D+01 -0.892882D+00 -0.146685D+01  0.189528D+01 -0.116931D+01
      2  -0.892882D+00 -0.890151D+00 -0.129392D+01 -0.116931D+01  0.139591D+01
      3  -0.146685D+01 -0.129392D+01 -0.185906D+01 -0.230916D+01  0.129136D+01
                66            67            68            69            70 
      1  -0.230916D+01 -0.697267D+00  0.649573D+00  0.373073D+00 -0.177403D+01
      2   0.129136D+01  0.649573D+00 -0.100197D+01 -0.139227D+01  0.598152D+00
      3   0.369632D+01  0.373073D+00 -0.139227D+01 -0.158646D+01  0.211804D+01
                71            72            73            74            75 
      1   0.598152D+00  0.211804D+01  0.405172D+01 -0.332182D+01  0.250620D+00
      2  -0.170266D+01 -0.225624D+01 -0.332182D+01  0.325518D+01  0.263907D+00
      3  -0.225624D+01 -0.612310D+01  0.250620D+00  0.263907D+00  0.904992D+00
                76            77            78            79            80 
      1  -0.319288D+01  0.164754D+01  0.198037D+00 -0.525007D-01  0.160621D+00
      2   0.164754D+01 -0.329548D+01  0.222111D+00  0.160621D+00  0.218501D+00
      3   0.198037D+00  0.222111D+00 -0.364124D+00  0.633457D+00 -0.546059D+00
                81            82            83            84            85 
      1   0.633457D+00 -0.307518D+01 -0.181818D+01  0.861007D+00 -0.174198D+01
      2  -0.546059D+00 -0.181818D+01 -0.323437D+01  0.918156D+00 -0.222358D+01
      3  -0.168889D+00  0.861007D+00  0.918156D+00 -0.139463D+01  0.606874D+00
                86            87            88            89            90 
      1  -0.222358D+01  0.606874D+00  0.982810D+00  0.101140D+01 -0.102513D+01
      2  -0.489884D+01  0.157978D+01  0.101140D+01  0.231545D+01 -0.123659D+01
      3   0.157978D+01 -0.106413D+01 -0.102513D+01 -0.123659D+01  0.128638D+01
                91            92            93            94            95 
      1  -0.994938D+00  0.527806D+01 -0.200980D+01  0.626469D+01 -0.584518D+00
      2   0.527806D+01 -0.118767D+01  0.832552D+00 -0.584518D+00 -0.333630D+01
      3  -0.200980D+01  0.832552D+00 -0.412385D+01  0.984804D+00 -0.324622D+01
                96            97            98            99           100 
      1   0.984804D+00 -0.150283D+01  0.639554D+00 -0.388586D+01 -0.315681D+01
      2  -0.324622D+01  0.639554D+00 -0.279685D+01  0.990252D+00  0.175110D+01
      3   0.128954D+01 -0.388586D+01  0.990252D+00  0.444062D+01 -0.263296D+01
               101           102           103           104           105 
      1   0.175110D+01 -0.263296D+01  0.188155D+01 -0.136865D+01  0.124446D+01
      2  -0.136711D+01  0.124525D+01 -0.136865D+01  0.186283D+01 -0.220635D+01
      3   0.124525D+01 -0.327857D+01  0.124446D+01 -0.220635D+01  0.248607D+01
               106           107           108           109           110 
      1  -0.206341D+01  0.865207D+00 -0.291028D+01  0.355474D+00  0.887409D+00
      2   0.865207D+00 -0.174963D+01  0.214644D+01  0.887409D+00  0.415095D+00
      3  -0.291028D+01  0.214644D+01 -0.551937D+01 -0.315578D+00 -0.128899D+00
               111           112           113           114           115 
      1  -0.315578D+00  0.144530D+01  0.853396D+00 -0.212492D+00 -0.105723D+00
      2  -0.128899D+00  0.853396D+00  0.764414D+01 -0.197977D+01 -0.105719D+00
      3   0.344253D+00 -0.212492D+00 -0.197977D+01  0.169691D+01  0.461913D+00
               116           117           118           119           120 
      1  -0.105719D+00  0.461913D+00  0.341300D+01 -0.512659D+00 -0.224738D+01
      2  -0.989974D+00  0.108578D+01 -0.512659D+00  0.571994D+00  0.101385D+00
      3   0.108578D+01 -0.808186D+00 -0.224738D+01  0.101385D+00  0.281228D+01
               121           122           123           124           125 
      1  -0.169474D+01  0.565927D+00  0.786961D+00 -0.272743D+01  0.313066D-01
      2   0.565927D+00 -0.107238D+00 -0.937104D+00  0.313066D-01 -0.927401D+00
      3   0.786961D+00 -0.937104D+00 -0.167667D+01  0.254874D+01 -0.428611D+00
               126           127           128           129           130 
      1   0.254874D+01  0.145443D+01  0.915431D+00  0.984098D+00  0.254857D+01
      2  -0.428611D+00  0.915431D+00  0.189590D+00  0.326369D+00  0.329520D-01
      3  -0.455848D+01  0.984098D+00  0.326369D+00  0.286333D+00  0.408876D+00
               131           132           133           134           135 
      1   0.329520D-01  0.408876D+00  0.140145D+01  0.434868D+00  0.196013D+00
      2   0.305141D+01  0.165997D+01  0.434868D+00  0.175305D+01  0.159080D+01
      3   0.165997D+01  0.208661D+01  0.196013D+00  0.159080D+01  0.233654D+01
               136           137           138           139           140 
      1   0.131213D+01 -0.162917D+01  0.594650D+00 -0.468354D+01  0.677370D+00
      2  -0.162917D+01 -0.117474D+01 -0.150396D+00  0.677370D+00 -0.189127D+01
      3   0.594650D+00 -0.150396D+00 -0.153940D+01  0.128919D-01  0.613404D+00
               141           142           143           144           145 
      1   0.128919D-01  0.745806D+00 -0.153109D+00 -0.420700D+00 -0.130531D+00
      2   0.613404D+00 -0.153109D+00  0.216723D+00 -0.655155D+00  0.437858D+01
      3  -0.368448D+00 -0.420700D+00 -0.655155D+00  0.333834D+00 -0.317997D+01
               146           147           148           149           150 
      1   0.437858D+01 -0.317997D+01  0.449287D+01 -0.244168D+00 -0.203448D+00
      2  -0.209648D+00 -0.180224D+00 -0.244168D+00 -0.137002D+01 -0.391778D+01
      3  -0.180224D+00 -0.232972D+00 -0.203448D+00 -0.391778D+01 -0.155207D+01
               151           152           153           154           155 
      1  -0.284416D+01 -0.428326D-01  0.179729D-01 -0.931343D-01 -0.394170D+01
      2  -0.428326D-01 -0.316771D+01 -0.163123D+01 -0.394170D+01  0.637991D+00
      3   0.179729D-01 -0.163123D+01  0.268058D+01  0.207432D+01 -0.669827D+00
               156           157           158           159           160 
      1   0.207432D+01 -0.453815D+01  0.985342D+00 -0.899529D+00  0.244428D+01
      2  -0.669827D+00  0.985342D+00  0.408292D+01  0.223964D+01 -0.857001D+00
      3   0.274971D+01 -0.899529D+00  0.223964D+01 -0.733022D+00  0.372165D+01
               161           162           163           164           165 
      1  -0.857001D+00  0.372165D+01 -0.385881D+00 -0.472860D+01  0.161896D+01
      2   0.226475D+01 -0.663008D+00 -0.472860D+01  0.316163D+00 -0.980647D+00
      3  -0.663008D+00 -0.437649D+01  0.161896D+01 -0.980647D+00  0.227455D+01
               166           167           168           169           170 
      1  -0.443659D+01 -0.122155D+00 -0.103828D+01  0.181988D+01 -0.113107D+01
      2  -0.122155D+00  0.225335D+01  0.270745D+01 -0.113107D+01  0.288928D+01
      3  -0.103828D+01  0.270745D+01 -0.360123D+00  0.284517D+01 -0.115780D+01
               171           172           173           174           175 
      1   0.284517D+01  0.447501D+01 -0.228734D+01  0.235465D+01 -0.244168D+01
      2  -0.115780D+01 -0.228734D+01  0.198849D+01 -0.138582D+01  0.163427D+01
      3  -0.508183D+01  0.235465D+01 -0.138582D+01  0.298455D+01 -0.110826D+01
               176           177           178           179           180 
      1   0.163427D+01 -0.110826D+01  0.127821D+01 -0.661087D+00  0.154627D+01
      2  -0.222682D+01  0.192191D+01 -0.661087D+00  0.102589D+01 -0.949731D+00
      3   0.192191D+01 -0.179975D+01  0.154627D+01 -0.949731D+00  0.165348D+01
               181           182           183           184           185 
      1  -0.403318D+01 -0.216455D+01  0.221477D+01 -0.231897D+01 -0.151342D+01
      2  -0.216455D+01 -0.187957D+01  0.133138D+01 -0.151342D+01 -0.211086D+01
      3   0.221477D+01  0.133138D+01 -0.296406D+01  0.106141D+01  0.182566D+01
               186           187           188           189           190 
      1   0.106141D+01  0.147814D+01  0.709299D+00 -0.156187D+01  0.178499D+00
      2   0.182566D+01  0.709299D+00  0.104646D+01 -0.912309D+00  0.203441D+00
      3  -0.187697D+01 -0.156187D+01 -0.912309D+00  0.178597D+01  0.997317D+00
               191           192           193           194           195 
      1   0.203441D+00  0.997317D+00  0.735256D+00  0.401591D-01  0.178779D+00
      2   0.642287D-01  0.125285D+00  0.401591D-01  0.392843D+01  0.261326D+01
      3   0.125285D+00  0.287517D+00  0.178779D+00  0.261326D+01  0.428979D+01
               196           197           198           199           200 
      1   0.800523D+00  0.743327D-01  0.772600D-01 -0.467458D-01 -0.862767D+00
      2   0.743327D-01  0.186520D+01  0.214107D+01 -0.862767D+00 -0.101387D+01
      3   0.772600D-01  0.214107D+01  0.379170D+01 -0.774477D+00 -0.492559D-01
               201           202           203           204           205 
      1  -0.774477D+00 -0.238123D+01 -0.170823D+01  0.107334D+00 -0.145266D+01
      2  -0.492559D-01 -0.170823D+01 -0.585482D+01 -0.104281D+01 -0.947586D-01
      3  -0.108888D+00  0.107334D+00 -0.104281D+01 -0.113068D+01 -0.179949D+00
               206           207           208           209           210 
      1  -0.947586D-01 -0.179949D+00 -0.689448D+01  0.187215D+01 -0.198805D+01
      2  -0.113527D+01 -0.835683D+00  0.187215D+01 -0.119818D+01  0.509026D+00
      3  -0.835683D+00 -0.472552D+00 -0.198805D+01  0.509026D+00 -0.155178D+01
               211           212           213           214           215 
      1   0.387834D+01 -0.171896D+01  0.866520D+00 -0.394236D+01  0.911469D+00
      2  -0.171896D+01  0.122728D+01 -0.859625D+00  0.911469D+00 -0.115919D+01
      3   0.866520D+00 -0.859625D+00  0.100837D+01 -0.227760D+01  0.700322D+00
               216           217           218           219           220 
      1  -0.227760D+01 -0.225413D+01  0.278028D+00  0.157538D+01  0.816447D+00
      2   0.700322D+00  0.278028D+00 -0.359059D+00  0.132933D+00 -0.640059D+00
      3  -0.130668D+01  0.157538D+01  0.132933D+00 -0.182566D+01 -0.520284D-01
               221           222           223           224           225 
      1  -0.640059D+00 -0.520284D-01  0.358242D+01  0.249575D+00 -0.343048D+01
      2  -0.259746D+00  0.612811D+00  0.249575D+00  0.900913D+00 -0.280165D-01
      3   0.612811D+00  0.311750D+00 -0.343048D+01 -0.280165D-01  0.639475D+01
               226           227           228           229           230 
      1   0.489749D+01  0.152116D+01 -0.492238D+00  0.136060D+01  0.190703D+01
      2   0.152116D+01  0.315253D+01  0.389518D+00  0.190703D+01  0.325534D+01
      3  -0.492238D+00  0.389518D+00  0.703650D+00  0.743303D-01 -0.151057D+00
               231           232           233           234           235 
      1   0.743303D-01 -0.482314D+00  0.163096D+00  0.323234D+00 -0.116538D+01
      2  -0.151057D+00  0.163096D+00 -0.708511D+00  0.557176D+00  0.983916D+00
      3   0.606701D+00  0.323234D+00  0.557176D+00  0.329405D+00  0.108578D+01
               236           237           238           239           240 
      1   0.983916D+00  0.108578D+01  0.413967D+00 -0.330104D+00  0.263054D-02
      2  -0.663361D+00 -0.335827D+00 -0.330104D+00  0.323232D+00  0.731994D+00
      3  -0.335827D+00 -0.151916D+01  0.263054D-02  0.731994D+00  0.535301D+00
               241           242           243           244           245 
      1   0.163819D+01 -0.774380D+00 -0.213951D+01 -0.473181D+01  0.352904D+01
      2  -0.774380D+00  0.210070D+01  0.214246D+01  0.352904D+01 -0.354311D+01
      3  -0.213951D+01  0.214246D+01  0.719745D+01 -0.113453D+01  0.725293D+00
               246           247           248           249           250 
      1  -0.113453D+01  0.258091D+01 -0.248103D+01  0.668787D+00 -0.223424D+01
      2   0.725293D+00 -0.248103D+01  0.360331D+01 -0.113072D+01  0.160497D+01
      3  -0.133516D+01  0.668787D+00 -0.113072D+01  0.712316D+00 -0.143702D+01
               251           252           253           254           255 
      1   0.160497D+01 -0.143702D+01  0.357206D+01  0.158557D+01 -0.366197D+00
      2  -0.254971D+01  0.122459D+01  0.158557D+01  0.101071D+01 -0.122944D+00
      3   0.122459D+01 -0.836388D+00 -0.366197D+00 -0.122944D+00  0.609669D+00
               256           257           258           259           260 
      1  -0.163941D+01 -0.212125D+01 -0.109945D+00 -0.104550D+00  0.227623D+00
      2  -0.212125D+01 -0.510661D+01  0.308500D+00  0.227623D+00  0.440926D+00
      3  -0.109945D+00  0.308500D+00 -0.600142D+00  0.795331D+00 -0.793184D+00
               261           262           263           264           265 
      1   0.795331D+00 -0.217948D+01 -0.412107D+01  0.361937D+00 -0.543860D+01
      2  -0.793184D+00 -0.412107D+01  0.848242D-01  0.189464D+00 -0.123874D+01
      3   0.424966D+00  0.361937D+00  0.189464D+00  0.311773D+00  0.177704D+00
               266           267           268           269           270 
      1  -0.123874D+01  0.177704D+00  0.601705D+00  0.216942D+00 -0.102458D+01
      2   0.295119D+01  0.384759D+00  0.216942D+00  0.567385D+00  0.445487D+01
      3   0.384759D+00  0.374413D+01 -0.102458D+01  0.445487D+01 -0.100536D+01
               271           272           273           274           275 
      1   0.149671D+01  0.236352D+01 -0.242155D+00  0.834571D+01  0.336962D+01
      2   0.236352D+01  0.115469D+01  0.284852D-01  0.336962D+01  0.103559D+02
      3  -0.242155D+00  0.284852D-01  0.163057D+00  0.867137D-01 -0.489637D+00
               276           277           278           279           280 
      1   0.867137D-01 -0.602017D+00 -0.150617D+00  0.113274D+01  0.850183D+00
      2  -0.489637D+00 -0.150617D+00 -0.636186D+00  0.239404D+01 -0.901995D-01
      3   0.196644D+01  0.113274D+01  0.239404D+01 -0.627594D+00  0.793596D+00
               281           282           283           284           285 
      1  -0.901995D-01  0.793596D+00 -0.145346D+01  0.136860D+01 -0.583282D+00
      2  -0.408746D-01 -0.102815D+00  0.136860D+01 -0.343591D+01  0.184087D+01
      3  -0.102815D+00  0.146284D+00 -0.583282D+00  0.184087D+01 -0.251004D+01
               286           287           288           289           290 
      1   0.259930D+01 -0.110694D+01  0.149108D+01  0.892096D+01  0.176460D+01
      2  -0.110694D+01  0.259447D+01 -0.282547D+01  0.176460D+01  0.138481D+01
      3   0.149108D+01 -0.282547D+01  0.479030D+01 -0.216909D+00 -0.518415D-01
               291           292           293           294           295 
      1  -0.216909D+00  0.423834D+01  0.150933D+01 -0.670501D-01 -0.516880D+00
      2  -0.518415D-01  0.150933D+01  0.136182D+01 -0.114209D+00 -0.542831D-01
      3   0.113128D+01 -0.670501D-01 -0.114209D+00  0.369151D+00  0.114575D+01
               296           297           298           299           300 
      1  -0.542831D-01  0.114575D+01  0.678168D+00 -0.160041D+00 -0.700119D+00
      2  -0.172555D+00 -0.100870D+00 -0.160041D+00 -0.166465D+00  0.216908D-01
      3  -0.100870D+00 -0.677174D-01 -0.700119D+00  0.216908D-01 -0.462336D-03
               301           302           303           304           305 
      1  -0.172609D+01  0.148484D+01  0.402086D+00 -0.232733D+01  0.968594D+00
      2   0.148484D+01 -0.443758D+01 -0.200422D+01  0.968594D+00 -0.288447D+01
      3   0.402086D+00 -0.200422D+01 -0.249095D+01  0.110644D+01 -0.275446D+01
               306 
      1   0.110644D+01
      2  -0.275446D+01
      3  -0.345626D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.248260D+01 -0.115800D+01 -0.628889D+01 -0.136712D+01  0.949907D+01
      2   0.167032D+01  0.718199D+01  0.162859D+02  0.580619D+01  0.166417D+01
      3   0.814636D-01 -0.602209D+01 -0.544852D+01 -0.159679D+01 -0.751192D+01
                 6             7             8             9            10 
      1   0.287717D+01 -0.597940D+01  0.771002D+01 -0.775107D+01 -0.979097D+00
      2  -0.192050D+01  0.828656D+01 -0.330495D+01 -0.917452D+01  0.175392D+01
      3  -0.854233D-01 -0.328075D+01 -0.458184D+00  0.916199D+01  0.461925D+01
                11            12            13            14            15 
      1  -0.434028D+01  0.509780D+01 -0.455402D+01 -0.741506D+01 -0.946572D+01
      2  -0.628537D+00  0.257858D+01 -0.344643D+00  0.183656D+01  0.206190D+01
      3  -0.113380D+02  0.126336D+01 -0.743836D+01 -0.960639D+00  0.262365D+01
                16            17            18            19            20 
      1   0.367287D+01 -0.225704D+01  0.634613D+01  0.621941D+01  0.281982D+00
      2  -0.203669D+01  0.133380D+01 -0.506143D+00 -0.598304D+01 -0.326821D+01
      3   0.245891D-01  0.210638D+01 -0.520846D+01 -0.737419D+01 -0.429605D+01
                21            22            23            24            25 
      1   0.604131D+00  0.152617D+01 -0.893905D+01 -0.498862D+01  0.713712D-01
      2  -0.390542D+01 -0.391255D+01 -0.253113D+01  0.157194D+01 -0.127409D+02
      3  -0.273421D+01  0.238557D+01  0.595394D+01  0.138635D+01 -0.211064D+01
                26            27            28            29            30 
      1   0.146077D+01  0.639384D+01 -0.756574D+01  0.665248D-01  0.408964D+01
      2   0.290991D+01  0.115143D+02  0.424656D+01  0.369220D+01  0.477453D+01
      3   0.114361D+01 -0.278960D+01  0.250546D+01  0.165561D+01  0.412807D+01
                31            32            33            34            35 
      1  -0.606993D+00  0.916914D+01 -0.760028D+01  0.538555D+01 -0.977729D+00
      2   0.667199D+01 -0.102659D+01 -0.484201D+00 -0.892027D+00 -0.173604D+00
      3   0.791131D+01  0.280182D+01 -0.136800D+01  0.395364D+01 -0.605370D+00
                36            37            38            39            40 
      1  -0.155912D+01  0.943946D+00  0.833417D+00 -0.180616D+01 -0.872394D+00
      2  -0.643898D+01  0.448808D+01 -0.242549D+01  0.142907D+01 -0.408134D+01
      3  -0.369173D+01 -0.306378D+01  0.364727D+01  0.775364D+00  0.670724D+01
                41            42            43            44            45 
      1   0.123583D+01 -0.213595D+01 -0.445166D+01  0.149943D+01 -0.397187D+01
      2  -0.137600D+01 -0.172379D+01 -0.446730D+01 -0.211995D+01  0.153137D+01
      3   0.713913D+00  0.115414D+01 -0.755622D+00 -0.174132D+00  0.115698D+01
                46            47            48            49            50 
      1  -0.250944D+01  0.408912D+00 -0.287300D+00  0.175692D+01  0.363844D+01
      2  -0.201276D+01  0.380308D+01  0.725810D+00  0.378048D+01 -0.320270D+01
      3  -0.273046D+01  0.207310D+00 -0.161566D+01  0.765308D+01 -0.154674D+01
                51            52            53            54            55 
      1   0.131095D+01  0.249585D+00  0.922331D+01  0.812389D+00  0.233545D+01
      2  -0.193068D+00 -0.878024D+01 -0.276975D+00  0.166086D+01 -0.101824D+02
      3   0.181783D+01 -0.183235D+01  0.357219D+01  0.122790D+01  0.686815D+01
                56            57            58            59            60 
      1   0.440554D+01 -0.172717D+01  0.273164D+01  0.218727D+01 -0.129252D+01
      2  -0.291265D+01  0.392521D+00 -0.353232D+01 -0.248648D+01  0.477773D+00
      3  -0.186505D+01  0.132510D+01  0.217193D+01 -0.785022D+00 -0.127578D+00
                61            62            63            64            65 
      1  -0.672630D+00  0.105565D+01  0.349618D+00 -0.755206D+00 -0.271008D+01
      2  -0.167879D+01  0.527649D-01  0.346247D+00  0.879311D+01 -0.407350D+01
      3   0.955086D+00 -0.589683D+00  0.253718D+00 -0.570436D+01  0.196990D+01
                66            67            68            69            70 
      1   0.394028D+01 -0.712504D+00 -0.169476D+00 -0.103381D+01  0.232511D+01
      2  -0.856949D+01 -0.242611D+01  0.348500D+01  0.274637D+01 -0.904160D+01
      3   0.524668D+01  0.312946D+01 -0.187158D+01 -0.287695D+01  0.438347D+01
                71            72            73            74            75 
      1   0.285085D+01 -0.474353D+01  0.102802D+01  0.271711D+00  0.370451D+01
      2   0.410052D+01  0.120282D+02  0.630392D+00 -0.201672D+00  0.999494D+00
      3  -0.243612D+01 -0.671375D+01 -0.142028D+02  0.839575D+01 -0.719299D+00
                76            77            78            79            80 
      1  -0.301595D+00  0.108032D+01 -0.200924D+01  0.138005D+01  0.226447D+00
      2  -0.344946D+00  0.216935D+00 -0.941729D+00 -0.167402D+01  0.268444D+00
      3   0.112105D+02 -0.497410D+01 -0.212240D+00  0.502364D+00 -0.461002D+00
                81            82            83            84            85 
      1  -0.442200D+00  0.199992D+01  0.193868D+01 -0.484214D+01  0.178307D+01
      2  -0.132070D+00 -0.231259D+00 -0.531148D+00  0.215683D+01  0.133178D+00
      3  -0.170568D+01  0.898593D+01 -0.654275D+00 -0.166197D+01  0.352485D+01
                86            87            88            89            90 
      1   0.365427D+01 -0.443659D+01 -0.232204D+01 -0.107130D+01  0.433998D+01
      2  -0.808368D+00  0.177282D+01 -0.522249D+00  0.110111D+01 -0.129402D+01
      3   0.467612D+00 -0.604817D+00 -0.252619D+01  0.649467D-01  0.129648D+01
                91            92            93            94            95 
      1   0.193439D+01 -0.209113D+00  0.137925D+01  0.331105D+00  0.732336D+00
      2   0.279557D+01 -0.206725D+01  0.122665D+02 -0.301986D+01  0.650798D+01
      3   0.134707D+02 -0.327425D+01  0.637185D+00  0.797435D+01 -0.920020D+01
                96            97            98            99           100 
      1  -0.497926D+01  0.148911D+01  0.258444D+01 -0.396362D+01 -0.210521D+01
      2  -0.165366D+01  0.420771D+01 -0.152720D+01 -0.113711D+02 -0.260138D+01
      3  -0.672642D+01  0.101499D+01 -0.588915D+01 -0.253713D+00  0.581532D+00
               101           102           103           104           105 
      1   0.315045D+01  0.135263D+00  0.174754D+01 -0.313360D+01  0.107100D+01
      2   0.120366D+01  0.265591D+01  0.246887D+01  0.105571D+01 -0.244239D+01
      3  -0.294397D+01  0.718545D+00  0.270357D+00  0.276811D+01 -0.292494D+01
               106           107           108           109           110 
      1  -0.423315D+00  0.482268D+01 -0.834265D+00 -0.148754D+01 -0.650246D+00
      2  -0.192804D+01 -0.140770D+01  0.399635D+01 -0.219790D+00  0.138754D+01
      3  -0.539058D+00 -0.314964D+01  0.198434D+01  0.668992D+00  0.372152D+00
               111           112           113           114           115 
      1  -0.396414D+00 -0.107073D+01 -0.121123D+02 -0.147603D+01 -0.166418D+00
      2   0.399892D-01  0.296022D+01  0.241725D+01  0.390841D+00 -0.155695D+01
      3  -0.356122D+00  0.537182D+01 -0.137092D+01 -0.159108D+00 -0.599504D+00
               116           117           118           119           120 
      1   0.786409D+00 -0.915890D+00  0.383436D+01 -0.218209D+01 -0.323580D+01
      2  -0.575709D-01  0.114116D+01  0.734828D+01 -0.919695D+00 -0.113997D+01
      3  -0.323001D+00  0.491673D+00  0.405523D+01 -0.232533D+01 -0.325024D+01
               121           122           123           124           125 
      1  -0.170523D+01  0.195862D+01  0.275353D+01 -0.255318D+01  0.426666D+01
      2  -0.424798D+01  0.937471D+00  0.112091D+00 -0.602162D+01 -0.290496D+00
      3  -0.855436D+00  0.163439D+01  0.127495D+01 -0.322787D+01  0.154655D+01
               126           127           128           129           130 
      1   0.563522D+01  0.720646D+00 -0.107998D-01 -0.707794D+00  0.185978D+00
      2   0.279097D+01  0.301761D+00  0.705894D-01  0.448090D+00 -0.163968D+01
      3   0.355958D+01 -0.240539D+00  0.101635D+01  0.431712D+00  0.676860D+01
               131           132           133           134           135 
      1   0.601803D+00 -0.228614D+01  0.632416D+00  0.103732D+01 -0.187573D+01
      2   0.182973D+01  0.186346D+01 -0.324877D+01  0.926513D+00  0.241046D+01
      3  -0.226846D+01 -0.105193D+01  0.191273D+01 -0.963345D+00 -0.165147D+00
               136           137           138           139           140 
      1  -0.263470D+00  0.118635D+00 -0.509247D+00  0.241406D+00 -0.152907D+01
      2  -0.618016D+00 -0.814458D+00  0.692969D+01  0.191035D+01  0.570661D+00
      3   0.987103D+01 -0.885583D+01  0.145301D+01  0.922275D+01  0.438313D+01
               141           142           143           144           145 
      1  -0.332502D+01  0.609527D+00  0.114263D+01  0.358894D+00  0.934776D+01
      2  -0.139472D+01 -0.732964D+01 -0.241287D+01  0.614584D+00  0.184816D+01
      3  -0.734742D+00 -0.444500D+00  0.737965D-01  0.200368D+01  0.282678D+01
               146           147           148           149           150 
      1  -0.215025D+00 -0.790192D-01 -0.596163D+00 -0.752540D+01 -0.169446D+02
      2  -0.122760D+02  0.140580D+02 -0.117092D+02  0.252418D+01  0.605127D+00
      3  -0.598402D+01  0.342848D+01 -0.226795D+01 -0.345127D+00 -0.175456D+01
               151           152           153           154           155 
      1  -0.562413D+00 -0.911787D+01 -0.301104D+01 -0.955609D+00  0.815013D-01
      2   0.581199D+01  0.141851D+01 -0.188701D+01 -0.835871D+01  0.378206D+01
      3   0.212907D+01 -0.200591D+01 -0.997008D+00 -0.157459D+02  0.224053D+01
               156           157           158           159           160 
      1   0.387321D+00  0.589125D+00  0.271367D+01 -0.851666D+00  0.109687D+01
      2  -0.973930D+01  0.506796D+01 -0.946231D+01  0.252429D+01 -0.194706D+02
      3  -0.288356D+01  0.889844D+01  0.184319D+02  0.896089D+01 -0.404264D+01
               161           162           163           164           165 
      1   0.293029D+01 -0.855481D+00 -0.804805D+01  0.240647D+01 -0.585673D+01
      2   0.198188D+01  0.166449D+02 -0.309748D+01  0.681826D+01 -0.419626D+01
      3   0.909959D+01 -0.233495D+01 -0.130369D+02 -0.151503D+02  0.103077D+01
               166           167           168           169           170 
      1   0.212828D+01 -0.608213D+01  0.129850D+01 -0.806739D+01  0.889282D+01
      2   0.597848D+01 -0.564368D+01  0.150346D+01 -0.994692D+01  0.378513D+01
      3  -0.991650D+01  0.340873D+01  0.383810D+01  0.154975D+01  0.383778D+01
               171           172           173           174           175 
      1   0.131691D+02 -0.463845D+01  0.523776D+01 -0.528696D-01  0.361541D+01
      2   0.104379D+02 -0.151552D+02  0.688210D+01 -0.570982D+01  0.814261D+01
      3   0.318953D+01 -0.683391D+01  0.148667D+01 -0.271302D+01  0.473957D+01
               176           177           178           179           180 
      1  -0.454264D+01  0.166429D+01 -0.773782D+00  0.317738D+01 -0.963268D+00
      2  -0.552674D+01  0.319367D+01 -0.578581D+01  0.280202D+01 -0.450582D+01
      3  -0.190777D+01  0.198588D+01 -0.172151D+01  0.660343D+00 -0.201305D+01
               181           182           183           184           185 
      1  -0.412563D+01 -0.516145D+01 -0.180205D+00 -0.329973D+01 -0.412448D+01
      2   0.113066D+02  0.466247D+01 -0.113808D+01  0.626591D+01  0.260999D+01
      3   0.327306D+01 -0.125515D+01 -0.563196D+00  0.224521D+01 -0.103148D+01
               186           187           188           189           190 
      1   0.143249D+01  0.805827D+00  0.330716D+01 -0.110995D+01  0.125585D+01
      2  -0.581914D+00 -0.400005D+01 -0.145331D+01  0.217067D+01 -0.860662D+00
      3   0.472452D+00 -0.793924D+00  0.687796D+00  0.653970D+00  0.203097D+00
               191           192           193           194           195 
      1  -0.216101D+00  0.430039D+00 -0.176392D+00  0.156457D+02  0.806628D+01
      2  -0.727567D+00 -0.176811D+01 -0.376817D+01 -0.131387D+01 -0.272645D+01
      3  -0.565398D+00 -0.526316D+00  0.163512D+01  0.198971D+01  0.151346D+01
               196           197           198           199           200 
      1   0.267277D+00  0.878254D+01  0.794267D+01 -0.108336D+01 -0.114122D+00
      2  -0.365087D+01 -0.151966D+01 -0.273838D+01  0.342231D+01  0.375600D+00
      3   0.215857D+00  0.120906D+01  0.119443D+01 -0.401315D+01 -0.343923D+01
               201           202           203           204           205 
      1   0.110715D+00  0.483604D-01 -0.273677D+01 -0.362428D+01  0.757967D+00
      2   0.278272D+00 -0.499861D+00  0.488540D+01  0.563641D+01 -0.139720D+01
      3   0.755148D+00 -0.102133D+01 -0.247357D+02 -0.526319D+01  0.176111D+01
               206           207           208           209           210 
      1  -0.424378D+00 -0.143544D+01  0.875551D-01  0.483093D+00  0.300005D+00
      2   0.377350D+01  0.319350D+01  0.882605D+01 -0.271567D+01  0.879961D+01
      3  -0.545894D+01 -0.413340D+01  0.790955D+01 -0.745349D+01  0.275396D+01
               211           212           213           214           215 
      1  -0.249366D+00 -0.454496D+00 -0.101185D+01 -0.119221D+00  0.109528D+01
      2  -0.382123D+01  0.375551D+01 -0.516921D+01  0.771058D+01 -0.286440D+01
      3  -0.492155D+01  0.556615D+01 -0.342033D+01  0.360973D+01 -0.593680D+01
               216           217           218           219           220 
      1   0.374115D+00  0.520272D+00 -0.735546D+00 -0.680957D+00 -0.152711D+00
      2   0.640753D+01 -0.460896D+01 -0.558668D+00  0.749493D+01 -0.366255D+00
      3   0.295037D+01  0.149807D+01 -0.234184D+01 -0.331430D-01 -0.124286D+01
               221           222           223           224           225 
      1   0.953972D-01 -0.503652D+00 -0.542304D+00  0.299457D+01  0.178874D+01
      2  -0.186789D+01 -0.103536D+01  0.821185D+01 -0.372800D-02 -0.250885D+02
      3  -0.100402D+01  0.188149D+01  0.478803D+00  0.472957D+01  0.214697D+00
               226           227           228           229           230 
      1   0.317686D+01  0.127375D+01 -0.331151D+01  0.176060D+01  0.260860D+01
      2  -0.374312D+01 -0.184951D+01  0.431538D+00 -0.131246D+01 -0.118927D+01
      3   0.209775D+02  0.852588D+01 -0.136568D+01  0.940564D+01  0.105893D+02
               231           232           233           234           235 
      1  -0.296980D+01 -0.151814D+01 -0.615058D+00  0.905687D-01 -0.158456D+01
      2  -0.262798D+00 -0.121887D+01 -0.952281D+00 -0.742100D+00 -0.111713D+01
      3  -0.492909D+00 -0.158100D+01 -0.972971D+00  0.219526D+01  0.193721D-01
               236           237           238           239           240 
      1  -0.216234D+00  0.347299D+01  0.102934D+00 -0.160878D+01 -0.163703D+01
      2   0.117111D+00  0.341987D+01 -0.457224D+00 -0.146212D+01 -0.895096D+00
      3  -0.406825D+00  0.132685D+01  0.113236D+01 -0.126238D+00  0.124317D+01
               241           242           243           244           245 
      1   0.422001D+01  0.230018D+00 -0.169329D+02  0.522485D+01 -0.351515D+01
      2   0.592435D+00 -0.396419D+01 -0.151974D+02  0.480567D+01 -0.366092D+01
      3   0.270925D+01  0.396065D+01  0.329348D+00 -0.368087D+01 -0.245587D+01
               246           247           248           249           250 
      1   0.513350D+01 -0.338291D+01  0.463506D+01 -0.410720D+01  0.409388D+01
      2   0.554193D+01 -0.296592D+01  0.405111D+01 -0.292590D+01  0.329837D+01
      3  -0.129616D+01  0.255469D+01  0.302931D+01 -0.716034D+00 -0.237775D+01
               251           252           253           254           255 
      1  -0.289953D+01  0.335504D+01 -0.255262D+00 -0.132265D+00 -0.116179D+01
      2  -0.344796D+01  0.334762D+01 -0.275548D+01 -0.112899D+01 -0.104177D+02
      3  -0.320904D+01 -0.384290D+00 -0.975347D+01  0.232022D-01  0.827203D+00
               256           257           258           259           260 
      1   0.414393D+00  0.151597D+01  0.714767D+01  0.628812D+00  0.956182D+01
      2  -0.191543D+01  0.193844D+01 -0.708148D+01 -0.188673D+02 -0.139939D+01
      3   0.237971D+01  0.216881D+02 -0.165299D+01  0.193582D+01 -0.225237D+01
               261           262           263           264           265 
      1  -0.174591D+01 -0.126559D+00  0.375956D+00  0.158329D+01  0.224781D-01
      2   0.173783D+01  0.174525D+01  0.152717D+01  0.550630D+01  0.181246D+01
      3   0.255425D+01  0.201909D+02 -0.739318D+00 -0.118882D+01  0.138044D+02
               266           267           268           269           270 
      1   0.824498D+00  0.169851D+01 -0.306086D+01  0.721265D+01 -0.554055D+00
      2   0.184420D+01  0.161117D+02 -0.802078D+01  0.214201D+02 -0.461784D+01
      3  -0.119232D+02 -0.184484D+01 -0.128009D+01 -0.285547D+01 -0.196483D+02
               271           272           273           274           275 
      1   0.539310D+00  0.352187D+00  0.706931D+00  0.207746D+00 -0.518716D-01
      2  -0.974187D+00  0.318233D-01  0.641501D+01  0.469381D+00 -0.239509D+01
      3  -0.818744D+01 -0.619513D+01 -0.432454D+00  0.268154D+01 -0.371296D+02
               276           277           278           279           280 
      1  -0.963915D+01 -0.162397D+00  0.335679D+00  0.107784D+01  0.444282D+00
      2   0.108365D+02  0.465251D+01  0.753783D+01 -0.295650D+01  0.318819D+01
      3   0.198179D+01 -0.923541D+00  0.259668D+01 -0.752896D+01  0.149532D+00
               281           282           283           284           285 
      1  -0.148593D+00 -0.641201D-01 -0.611412D+00  0.909791D+00 -0.335482D+01
      2  -0.309037D+00  0.737885D+00 -0.191090D+01  0.820996D+01 -0.110719D+02
      3  -0.506231D+00 -0.344721D+00 -0.321721D+01  0.137530D+02 -0.759398D+01
               286           287           288           289           290 
      1   0.106163D+01 -0.746029D+00  0.466741D+01 -0.896967D-01  0.134205D-01
      2   0.419479D+01 -0.124441D+02  0.210215D+02 -0.191856D+01 -0.495583D+00
      3   0.167555D+01 -0.106783D+02  0.116551D+02 -0.138818D+02 -0.973483D+01
               291           292           293           294           295 
      1   0.328521D+00  0.683866D-01 -0.317694D-01 -0.763326D+00  0.733479D+00
      2   0.694859D+01 -0.707099D+00 -0.672558D+00  0.219899D+01  0.368434D+01
      3   0.468886D+00 -0.777223D+01 -0.761850D+01  0.565241D+00  0.553087D+00
               296           297           298           299           300 
      1   0.471459D+00 -0.272532D-01 -0.557406D+00  0.151004D-01 -0.216055D+00
      2  -0.505293D+00 -0.491088D+00 -0.311067D+01 -0.176024D+00  0.340209D+00
      3   0.903402D+00 -0.627079D-01  0.628986D+00  0.232572D+00  0.766202D+00
               301           302           303           304           305 
      1   0.776314D+00 -0.204402D+01 -0.395481D+01  0.958714D+00 -0.152003D+01
      2   0.151511D+01 -0.937548D+01 -0.111032D+02  0.331578D+01 -0.123538D+02
      3  -0.321791D+01  0.181996D+02  0.853587D+01 -0.132797D+01  0.122271D+02
               306 
      1  -0.421238D+01
      2  -0.154788D+02
      3   0.115575D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.796402D+00 -0.101475D+02 -0.191615D+02 -0.789905D+01 -0.100981D+02
      2   0.668954D+01  0.359291D+01 -0.390170D+01  0.400963D+01  0.105172D+02
      3  -0.589314D+01  0.655458D+01  0.230632D+02  0.388942D+01 -0.419024D+00
      4  -0.150095D+02 -0.954632D+01 -0.122790D+02 -0.836288D+01  0.568329D+01
      5  -0.163456D+02 -0.140295D+02 -0.850571D+01 -0.113616D+02 -0.956353D+00
      6  -0.205102D+02 -0.645698D+01  0.501432D+01 -0.491861D+01  0.829254D+01
                 6             7             8             9            10 
      1   0.180514D+01 -0.143412D+02  0.282320D+01  0.145166D+02  0.675426D+01
      2   0.795376D+01 -0.300132D+01  0.611729D+01 -0.705466D+01 -0.179757D+02
      3  -0.975890D+01  0.173425D+02 -0.894049D+01 -0.746193D+01  0.112215D+02
      4  -0.710706D+00 -0.726023D+01  0.972253D-01  0.259001D+00  0.121591D+01
      5  -0.639263D+01 -0.167733D+01 -0.463010D+01  0.107623D+02  0.408186D+01
      6  -0.494241D+01  0.482820D+01 -0.691062D+01 -0.816253D+01  0.502278D+01
                11            12            13            14            15 
      1   0.994647D+00 -0.107568D-01 -0.551225D+00 -0.165156D+01 -0.507763D+01
      2  -0.357229D+01  0.822295D+01 -0.239729D+01 -0.143696D+01  0.109452D+02
      3   0.257764D+01 -0.821219D+01  0.294851D+01  0.308852D+01 -0.586757D+01
      4  -0.172851D+02  0.584408D+01 -0.128460D+02 -0.213352D+01  0.933957D+01
      5   0.474458D+01 -0.425312D+01  0.427187D+01  0.734359D+01  0.367965D+01
      6   0.782180D+01 -0.594475D+01  0.591192D+01  0.956432D+01  0.195948D+01
                16            17            18            19            20 
      1  -0.192322D+01 -0.594570D+01 -0.433520D+01  0.368195D+00  0.496040D+01
      2   0.813203D+01  0.142053D+02  0.100744D+02 -0.566236D+00 -0.532574D+01
      3  -0.620881D+01 -0.825956D+01 -0.573923D+01  0.198041D+00  0.365335D+00
      4   0.375400D+01  0.999727D+01 -0.330707D+01  0.833518D+01 -0.391354D+01
      5  -0.383361D+01  0.712190D+00 -0.498794D+01  0.289217D+00  0.105098D+02
      6  -0.497931D+01  0.214889D+01 -0.343259D+01  0.108244D+02  0.296753D+00
                21            22            23            24            25 
      1   0.728331D+01  0.529947D+01  0.422979D+01 -0.806338D+00  0.936088D+01
      2   0.966858D+01 -0.618412D+01  0.642964D+00 -0.891445D+01  0.554402D+01
      3  -0.169519D+02  0.884653D+00 -0.487275D+01  0.972078D+01 -0.149049D+02
      4   0.744379D+01 -0.395655D+01 -0.700414D+01 -0.855001D+01  0.618667D+01
      5  -0.142423D+02  0.100954D+02 -0.923612D+01  0.115495D+02 -0.180942D+02
      6   0.926985D+01 -0.217135D+01 -0.864561D+01 -0.756214D+01  0.784826D+01
                26            27            28            29            30 
      1  -0.157344D+01 -0.158425D+02 -0.495923D+00  0.153707D+01 -0.892926D+01
      2  -0.551266D+01  0.884346D+01  0.797659D+01 -0.275570D+01 -0.671305D+01
      3   0.708610D+01  0.699907D+01 -0.748067D+01  0.121863D+01  0.156423D+02
      4  -0.559712D+01  0.132159D+02  0.177222D+01  0.196911D+01 -0.403785D+00
      5   0.126242D+02 -0.745470D+01 -0.120296D+01 -0.427031D+01 -0.636033D+01
      6  -0.467970D+01  0.834341D+01 -0.723049D+01  0.388743D+00 -0.297595D+01
                31            32            33            34            35 
      1   0.816080D+00  0.121399D+02  0.205274D+01 -0.102209D+02  0.274791D+01
      2  -0.403633D+01 -0.186757D+02  0.100395D+02 -0.481463D+01  0.452066D+01
      3   0.322025D+01  0.653588D+01 -0.120923D+02  0.150355D+02 -0.726857D+01
      4   0.213055D+01  0.284090D+00  0.130444D+01 -0.151823D+01 -0.910929D-01
      5  -0.556035D+01  0.554164D+01  0.215445D+01 -0.304615D+01 -0.281674D+00
      6   0.219336D+01  0.175924D+02 -0.119755D+01 -0.416617D+01  0.164705D+01
                36            37            38            39            40 
      1  -0.303479D+01 -0.326175D+02  0.241926D+01  0.978398D+00  0.113252D+02
      2   0.419902D+01  0.167578D+02 -0.258465D+01  0.192623D+00 -0.402156D+01
      3  -0.116423D+01  0.158597D+02  0.165384D+00 -0.117102D+01 -0.730365D+01
      4  -0.332918D+01 -0.288054D+01 -0.851314D+01  0.120006D+01 -0.282100D+01
      5   0.871994D+01  0.311600D+00  0.216822D+01 -0.816139D+01  0.330855D+01
      6  -0.697785D+01  0.414563D+01 -0.147997D+01 -0.537840D+00 -0.221760D+01
                41            42            43            44            45 
      1   0.319252D+01 -0.111324D+01  0.300547D+01 -0.245826D+01  0.815863D+01
      2  -0.361734D+00 -0.201576D+01 -0.311433D+00  0.146880D+01 -0.263016D+01
      3  -0.283078D+01  0.312900D+01 -0.269404D+01  0.989458D+00 -0.552847D+01
      4   0.236543D+00 -0.199701D+01  0.118885D+01 -0.115528D+00 -0.771528D+00
      5  -0.243791D+01 -0.226767D+01 -0.317347D+01 -0.196088D+01 -0.235030D+01
      6  -0.519401D+01 -0.782384D+01  0.471228D+00 -0.570503D+01 -0.398289D+00
                46            47            48            49            50 
      1  -0.163476D+02  0.677765D+01 -0.265976D+01  0.114522D+02 -0.576289D+01
      2   0.266839D+01 -0.333681D-01 -0.249228D-01 -0.482976D+01 -0.479354D+01
      3   0.136792D+02 -0.674429D+01  0.268468D+01 -0.662244D+01  0.105564D+02
      4   0.104250D+02 -0.137153D+01 -0.143500D+01 -0.742240D+00  0.133025D+00
      5  -0.303699D+01 -0.464536D+01  0.414154D+01 -0.420341D+01 -0.468347D+01
      6  -0.783184D+01  0.703321D+00  0.981143D+00  0.992923D+00 -0.578185D+01
                51            52            53            54            55 
      1   0.503873D+01 -0.598251D+01  0.743323D+01 -0.675385D+00  0.207274D+02
      2  -0.886291D+01  0.116398D+01 -0.120107D+02  0.112706D-01 -0.121527D+02
      3   0.382418D+01  0.481854D+01  0.457744D+01  0.664114D+00 -0.857474D+01
      4  -0.655118D+01  0.113375D+01 -0.878844D+01  0.103216D+01  0.249661D+02
      5  -0.338516D+00  0.187098D+01 -0.169161D+01  0.620047D+01  0.276587D+02
      6   0.498470D+01  0.194875D+00  0.140430D+01  0.329181D+01  0.161283D+02
                56            57            58            59            60 
      1   0.355647D+01  0.379444D+01  0.385764D+01  0.105814D+01 -0.128252D+01
      2   0.776479D+00 -0.613651D+01  0.983989D+00  0.365555D+01 -0.511627D+00
      3  -0.433295D+01  0.234207D+01 -0.484163D+01 -0.471369D+01  0.179415D+01
      4   0.174614D+02  0.130158D+02  0.150399D+02  0.133401D+02  0.786181D+01
      5   0.142686D+02  0.201038D+02  0.107216D+02  0.102888D+02  0.841404D+01
      6   0.137490D+02  0.121651D+02  0.997120D+01  0.107345D+02  0.100542D+02
                61            62            63            64            65 
      1   0.204162D+01 -0.116195D+01 -0.140568D+00 -0.736065D+01  0.859739D+01
      2  -0.412426D+01 -0.192838D+01 -0.483647D+01 -0.217458D+01 -0.369273D+01
      3   0.208264D+01  0.309033D+01  0.497704D+01  0.953523D+01 -0.490465D+01
      4   0.709180D+01  0.561622D+01  0.798063D+01 -0.299863D+01  0.250147D+01
      5   0.135172D+02  0.750335D+01  0.119686D+02 -0.551469D+01  0.333523D+01
      6   0.722880D+01  0.824834D+01  0.102044D+02  0.945598D+01 -0.874144D+01
                66            67            68            69            70 
      1   0.161456D+02  0.421232D+01 -0.789535D+01 -0.774264D+01  0.103629D+02
      2   0.394949D+01 -0.264592D+01  0.295470D+01  0.186397D+01  0.203940D+01
      3  -0.200951D+02 -0.156640D+01  0.494065D+01  0.587867D+01 -0.124023D+02
      4   0.465793D+01  0.276063D+01 -0.114393D+01  0.872343D-01  0.412591D+01
      5   0.674344D+01  0.258064D+01 -0.113762D+01  0.387111D+00  0.642348D+01
      6  -0.138256D+02 -0.411571D+01  0.786877D+01  0.127167D+02 -0.696915D+01
                71            72            73            74            75 
      1  -0.103712D+02 -0.270161D+02 -0.706006D+01  0.932005D+01  0.112717D+01
      2   0.551201D+00 -0.920153D+01  0.162530D+02 -0.181107D+02 -0.867451D+00
      3   0.982000D+01  0.362176D+02 -0.919292D+01  0.879065D+01 -0.259719D+00
      4   0.445830D+00 -0.170246D+01 -0.137089D+02  0.114508D+02 -0.110869D+01
      5   0.827115D+00 -0.150486D+01 -0.201305D+01  0.767797D+00  0.105642D+01
      6   0.143975D+02  0.234795D+02 -0.246959D-01 -0.190621D+01 -0.465646D+01
                76            77            78            79            80 
      1   0.232637D+01 -0.108219D+02 -0.952445D-01  0.158543D+00 -0.100186D+00
      2  -0.931169D+01  0.202475D+02 -0.158811D+01 -0.802005D+00 -0.102342D+01
      3   0.698532D+01 -0.942564D+01  0.168336D+01  0.643462D+00  0.112361D+01
      4   0.111259D+02 -0.715854D+01 -0.650801D+00 -0.628173D-01 -0.115493D+01
      5   0.616732D+00 -0.149850D+01 -0.530526D+00  0.234876D+01 -0.593710D+00
      6  -0.125252D+01  0.430391D+00  0.352570D+01 -0.336071D+01  0.494099D+01
                81            82            83            84            85 
      1  -0.201183D+01  0.862635D+01 -0.632495D+01 -0.322122D+00 -0.335912D+01
      2   0.134727D+01  0.438155D+01  0.170630D+02 -0.338830D+01  0.107590D+02
      3   0.664561D+00 -0.130079D+02 -0.107381D+02  0.371042D+01 -0.739991D+01
      4  -0.161422D+01  0.139001D+02  0.185545D+02 -0.600463D+01  0.145813D+02
      5   0.388315D+00 -0.435850D+01 -0.361646D+01  0.507882D+01 -0.248260D+01
      6   0.121654D+01 -0.428495D+01 -0.522541D+01  0.676901D+01 -0.361638D+01
                86            87            88            89            90 
      1  -0.100980D+02  0.329365D+01 -0.174089D-01  0.551259D+01 -0.275110D+01
      2   0.283506D+02 -0.801967D+01 -0.337038D+01 -0.118110D+02  0.404756D+01
      3  -0.182526D+02  0.472602D+01  0.338779D+01  0.629845D+01 -0.129646D+01
      4   0.207151D+02 -0.650540D+01 -0.607922D+01 -0.854816D+01  0.691617D+01
      5  -0.510770D+01  0.370808D+01  0.437450D+01  0.433163D+01 -0.458207D+01
      6  -0.862248D+01  0.706014D+01  0.525181D+01  0.901819D+01 -0.732412D+01
                91            92            93            94            95 
      1  -0.431823D+01 -0.247204D+02  0.626089D+01 -0.285634D+02  0.870508D+01
      2   0.909123D+01  0.115274D+02 -0.262193D+01  0.139393D+02 -0.822604D+01
      3  -0.477301D+01  0.131930D+02 -0.363896D+01  0.146241D+02 -0.479036D+00
      4  -0.242965D+02  0.659307D+01 -0.187115D+01  0.520318D+01  0.125084D+02
      5   0.369967D+01 -0.238191D+00  0.129472D+02 -0.137112D+01  0.880510D+01
      6   0.338473D+01 -0.436024D+00 -0.210611D+01 -0.405884D+00 -0.219323D+01
                96            97            98            99           100 
      1  -0.127367D+01  0.645544D+01  0.981409D+00  0.169450D+02  0.926326D+01
      2  -0.192120D+01 -0.176445D+01 -0.519082D+01 -0.603364D+01 -0.115764D+02
      3   0.319487D+01 -0.469099D+01  0.420941D+01 -0.109114D+02  0.231317D+01
      4   0.113608D+02 -0.268673D+01  0.115846D+02 -0.596569D+01 -0.103150D+02
      5  -0.460000D+01  0.151033D+02 -0.364980D+01 -0.157050D+02  0.198411D+02
      6  -0.713610D+00 -0.238635D+01  0.990764D+00  0.358366D+01 -0.829678D+01
               101           102           103           104           105 
      1  -0.287407D+01  0.192379D+01 -0.243976D+01 -0.312837D+01  0.375578D+01
      2   0.345835D+01 -0.109740D+02  0.316533D+01 -0.953766D+00  0.391127D+01
      3  -0.584283D+00  0.905022D+01 -0.725564D+00  0.408213D+01 -0.766704D+01
      4   0.892069D+01 -0.776371D+01  0.912354D+01 -0.915032D+01  0.943522D+01
      5  -0.973866D+01  0.227202D+02 -0.995702D+01  0.112429D+02 -0.123597D+02
      6   0.640420D+01 -0.808485D+01  0.699030D+01 -0.104853D+02  0.140611D+02
               106           107           108           109           110 
      1  -0.298605D+00  0.332266D+01 -0.771891D+01 -0.282881D+00 -0.747108D+00
      2  -0.937664D+01  0.421256D+01 -0.167029D+02  0.258243D+01  0.200528D+01
      3   0.967525D+01 -0.753522D+01  0.244218D+02 -0.229955D+01 -0.125817D+01
      4  -0.613114D+01  0.725115D+01 -0.997705D+01  0.740501D+00  0.519454D+01
      5   0.197495D+02 -0.106306D+02  0.278526D+02 -0.637011D+00 -0.217197D+01
      6  -0.712354D+01  0.114436D+02 -0.145070D+02 -0.285203D+01 -0.134916D+01
               111           112           113           114           115 
      1   0.106743D+01 -0.929841D+00 -0.246546D+02  0.931897D+01  0.247583D+01
      2   0.208905D+00  0.236591D+01  0.349412D+02 -0.703185D+01  0.178657D+00
      3  -0.127634D+01 -0.143607D+01 -0.102866D+02 -0.228712D+01 -0.265448D+01
      4  -0.126067D+01  0.559644D+01  0.146103D+01 -0.107919D+01 -0.399662D+00
      5   0.283486D+01 -0.361362D+01 -0.398838D+01  0.108974D+01  0.247540D+01
      6   0.113038D+01 -0.372807D+01 -0.264248D+02  0.126972D+02  0.166689D+01
               116           117           118           119           120 
      1   0.508149D+01 -0.508667D+01  0.203297D+01 -0.113058D+01  0.469838D+01
      2  -0.209981D+01  0.305505D+01 -0.968954D+01  0.157515D+01  0.749425D+01
      3  -0.298169D+01  0.203162D+01  0.765657D+01 -0.444572D+00 -0.121926D+02
      4   0.967235D-01  0.459122D+00  0.164567D+01  0.149415D+01 -0.146271D+01
      5   0.643692D+00 -0.162180D+01 -0.120191D+02  0.125748D+01  0.125656D+02
      6   0.902453D+01 -0.578758D+01  0.190241D+00 -0.271413D+01  0.208647D+01
               121           122           123           124           125 
      1  -0.311167D+00 -0.343031D+01 -0.346828D+01  0.332343D+01 -0.803332D-01
      2   0.297929D+01  0.821786D+00 -0.491867D+01  0.745168D+01 -0.267852D+01
      3  -0.266813D+01  0.260853D+01  0.838695D+01 -0.107751D+02  0.275885D+01
      4   0.110272D+01 -0.754715D+00 -0.101280D+01 -0.163573D+01 -0.115950D+01
      5   0.456120D+01 -0.276280D+01 -0.407914D+01  0.117238D+02 -0.307380D+00
      6  -0.226554D+01  0.482932D+00  0.409246D+01  0.210404D+01  0.456645D+01
               126           127           128           129           130 
      1  -0.124603D+02  0.752031D+01  0.507802D+00  0.902814D+00  0.356867D+01
      2  -0.131408D+02 -0.245061D+01  0.121803D+00 -0.370344D+00 -0.182064D+01
      3   0.256011D+02 -0.506970D+01 -0.629604D+00 -0.532470D+00 -0.174803D+01
      4   0.174654D+01  0.271601D+00  0.322150D+01  0.193903D+01  0.506650D+01
      5  -0.132132D+02  0.147361D+01  0.157470D+01  0.281444D+01  0.232877D+01
      6  -0.190661D+01  0.272170D+01  0.107815D+01  0.170204D+01  0.112311D+01
               131           132           133           134           135 
      1  -0.835644D+01 -0.474270D+01  0.184479D+01 -0.394141D+01 -0.772591D+01
      2   0.984309D+01  0.411031D+01 -0.150346D+01  0.259793D+01  0.141780D+01
      3  -0.148665D+01  0.632385D+00 -0.341327D+00  0.134347D+01  0.630811D+01
      4   0.251888D+01  0.233829D+01  0.200061D+01  0.206497D+01  0.219298D+01
      5   0.230024D+01  0.252172D+01  0.349505D+01  0.251080D+01  0.391050D+01
      6   0.878182D+01  0.811682D+01  0.129948D+01  0.723261D+01  0.813548D+01
               136           137           138           139           140 
      1   0.252945D+02 -0.605242D+01  0.421448D+01 -0.203292D+02 -0.212565D+01
      2  -0.137457D+02  0.149030D+01 -0.199145D+01  0.104782D+02  0.443151D+01
      3  -0.115489D+02  0.456213D+01 -0.222303D+01  0.985099D+01 -0.230586D+01
      4  -0.639001D+01  0.149845D+02 -0.116160D+01  0.103899D+02 -0.524488D+01
      5   0.257488D+01 -0.106619D+01  0.141137D+02 -0.197540D+01  0.125669D+01
      6  -0.742169D+00 -0.549591D+00  0.661294D+00  0.133796D-02  0.171448D+00
               141           142           143           144           145 
      1   0.305721D+00  0.337207D+01  0.698331D+00 -0.449886D+01  0.107037D+02
      2   0.415500D+00 -0.102475D+01 -0.142351D+00  0.786104D+00 -0.160302D+01
      3  -0.721221D+00 -0.234732D+01 -0.555980D+00  0.371276D+01 -0.910063D+01
      4   0.140757D+01 -0.111959D+01 -0.279653D+00 -0.287622D+01 -0.661087D+01
      5   0.379316D+00  0.171172D+01 -0.157243D+01  0.563526D+00  0.415856D+01
      6   0.514779D+01  0.733668D+00  0.346224D+01 -0.854806D+00  0.244859D+02
               146           147           148           149           150 
      1  -0.606933D+01  0.458371D+01 -0.603559D+01  0.931205D+01  0.633040D+01
      2   0.316178D+01 -0.283812D+01  0.329512D+01  0.874506D+01  0.738092D+01
      3   0.290755D+01 -0.174559D+01  0.274046D+01 -0.180571D+02 -0.137113D+02
      4  -0.871135D+01  0.980631D+01 -0.834082D+01  0.188980D+01  0.533912D+01
      5   0.204049D+02 -0.158349D+02  0.199750D+02  0.414028D+01  0.167488D+01
      6  -0.132845D+01 -0.265994D+00 -0.133603D+01 -0.407973D+01 -0.200165D+02
               151           152           153           154           155 
      1   0.384147D+01  0.343169D+01 -0.746726D+01  0.361186D+00  0.297353D+02
      2  -0.169024D+01  0.816905D+01 -0.573111D+01  0.858141D+00 -0.151836D+02
      3  -0.215123D+01 -0.116007D+02  0.131984D+02 -0.121933D+01 -0.145517D+02
      4   0.581638D+01  0.458463D+01  0.136519D+01  0.293459D+02 -0.397442D+01
      5  -0.121739D+02  0.175228D+01 -0.374408D+01 -0.160248D+02  0.428907D+01
      6  -0.313153D+00 -0.142273D+02 -0.114177D+02 -0.112118D+01 -0.466331D+00
               156           157           158           159           160 
      1  -0.180058D+02  0.347365D+02 -0.678147D+01  0.800944D+01 -0.231902D+02
      2   0.585167D+01 -0.191917D+02 -0.996118D-01 -0.420575D+01  0.551152D+01
      3   0.121541D+02 -0.155448D+02  0.688108D+01 -0.380368D+01  0.176786D+02
      4   0.448623D+01 -0.763854D+01 -0.254882D+02 -0.144196D+02  0.678055D+01
      5  -0.193996D+02  0.733099D+01 -0.136811D+02  0.582267D+01 -0.292509D+02
      6  -0.240739D+00 -0.101264D+01  0.660053D+00  0.118070D+01  0.130321D+00
               161           162           163           164           165 
      1   0.730487D+01 -0.212307D+02  0.918226D+01  0.237766D+02 -0.808284D+01
      2  -0.393749D+01  0.182232D+02 -0.215988D+02 -0.117269D+02 -0.351027D+01
      3  -0.336738D+01  0.300749D+01  0.124166D+02 -0.120497D+02  0.115931D+02
      4  -0.147773D+02  0.492869D+01  0.195192D+02 -0.194717D+02  0.971419D+01
      5   0.499435D+01  0.312640D+02 -0.859540D+01  0.229842D+01 -0.848331D+01
      6   0.604426D+00  0.157241D+01  0.394178D+01 -0.616516D+01  0.781683D+01
               166           167           168           169           170 
      1   0.235478D+02 -0.948952D+01 -0.580472D+00 -0.103329D+02  0.152379D+01
      2  -0.119108D+02  0.855356D+01  0.967269D+01 -0.464898D+01  0.128410D+02
      3  -0.116369D+02  0.935966D+00 -0.909222D+01  0.149819D+02 -0.143647D+02
      4  -0.157606D+02 -0.748870D+01 -0.138153D+02  0.121675D+02 -0.164810D+02
      5   0.214560D+01 -0.113142D+02  0.194551D+01 -0.122010D+02  0.666410D+01
      6  -0.537995D+01  0.121926D+02  0.409937D+00  0.105986D+02 -0.365838D+01
               171           172           173           174           175 
      1  -0.400703D+01 -0.527175D+01  0.762402D+01 -0.118804D+02  0.592122D+01
      2   0.111945D+02 -0.821810D+00 -0.399865D+01 -0.351529D+01 -0.344608D+01
      3  -0.718746D+01  0.609356D+01 -0.362538D+01  0.153957D+02 -0.247514D+01
      4   0.121035D+02 -0.710495D+01  0.541922D+01 -0.440969D+01  0.592544D+01
      5   0.239643D+02  0.178302D+02 -0.969257D+01  0.115305D+02 -0.105701D+02
      6  -0.184177D+02 -0.138530D+02  0.123790D+02 -0.112346D+02  0.967836D+01
               176           177           178           179           180 
      1  -0.102862D+02  0.836996D+01 -0.562786D+01  0.459907D+01 -0.828302D+01
      2   0.572472D+01 -0.674065D+00 -0.233071D+01 -0.525267D-01 -0.280886D+01
      3   0.456146D+01 -0.769589D+01  0.795857D+01 -0.454655D+01  0.110919D+02
      4  -0.365504D+01  0.117947D+01 -0.240433D+01  0.104615D+01 -0.225794D+01
      5   0.527477D+01 -0.471491D+01  0.778901D+01 -0.349482D+01  0.707877D+01
      6  -0.132567D+02  0.138135D+02 -0.612081D+01  0.854269D+01 -0.786017D+01
               181           182           183           184           185 
      1   0.726840D+01 -0.637642D+00  0.464713D+01  0.995688D+00 -0.493902D+01
      2  -0.710043D+01  0.363323D+00  0.727550D+01 -0.226833D+00  0.275199D+01
      3  -0.167975D+00  0.274318D+00 -0.119226D+02 -0.768855D+00  0.218703D+01
      4   0.132538D+02  0.107621D+02 -0.808709D+01  0.101544D+02  0.951676D+01
      5  -0.229206D+02 -0.130334D+02  0.188059D+02 -0.131011D+02 -0.995273D+01
      6  -0.129117D+02 -0.115527D+02  0.108699D+02 -0.882268D+01 -0.124965D+02
               186           187           188           189           190 
      1   0.526636D+01  0.169199D+01  0.254032D+01 -0.367914D+01 -0.209574D+01
      2   0.109358D+01  0.453065D+01  0.103751D+01 -0.536611D+01 -0.147007D+01
      3  -0.635994D+01 -0.622264D+01 -0.357783D+01  0.904525D+01  0.356581D+01
      4  -0.642701D+01 -0.442602D+01 -0.388811D+01  0.514225D+01 -0.140685D+00
      5   0.910872D+01  0.126997D+02  0.612569D+01 -0.116895D+02 -0.756239D+00
      6   0.131508D+02  0.626670D+01  0.859291D+01 -0.760051D+01  0.556259D+00
               191           192           193           194           195 
      1  -0.461373D+00 -0.231533D+01 -0.107216D+01 -0.878678D+01 -0.142952D+02
      2  -0.421428D+00  0.193545D+00 -0.207224D+00 -0.351946D+01 -0.113013D+02
      3   0.882801D+00  0.212178D+01  0.127939D+01  0.123062D+02  0.255965D+02
      4   0.292686D+01 -0.107979D+00  0.277360D+01 -0.580146D+01 -0.316900D+01
      5   0.131097D+01  0.624857D+01  0.414409D+01 -0.276946D+01 -0.453916D+01
      6   0.613321D+00  0.613346D+00  0.543132D+00  0.209231D+02  0.153867D+02
               196           197           198           199           200 
      1  -0.151116D+01 -0.702788D+01 -0.134489D+02  0.104408D+01  0.470426D+01
      2   0.333173D+00 -0.685531D+01 -0.125079D+02  0.559401D+00  0.222722D+00
      3   0.117799D+01  0.138832D+02  0.259569D+02 -0.160348D+01 -0.492698D+01
      4  -0.389855D-01 -0.240389D+01 -0.290872D+01  0.539525D+01  0.107470D+02
      5   0.562206D+01 -0.244615D+01 -0.449721D+01  0.384579D+01  0.977725D+00
      6   0.358086D+00  0.123313D+02  0.120158D+02  0.120072D+01  0.112216D+00
               201           202           203           204           205 
      1   0.550246D+01  0.158905D+02  0.407110D+01 -0.185445D+01  0.110973D+02
      2  -0.177004D+01 -0.498610D+01  0.895492D+01  0.208323D+01 -0.391861D+01
      3  -0.373242D+01 -0.109044D+02 -0.130260D+02 -0.228784D+00 -0.717871D+01
      4   0.175145D+01  0.176822D+02  0.410480D+02  0.682569D+01  0.280311D+01
      5   0.278736D+01 -0.243502D+00  0.660816D+01  0.748802D+01  0.453357D+01
      6  -0.462279D-01 -0.619981D+00 -0.178372D+00  0.383636D+01 -0.441402D+00
               206           207           208           209           210 
      1  -0.512614D+00 -0.828405D+00  0.612837D+02 -0.153731D+02  0.169213D+02
      2   0.116460D+01 -0.656818D+00 -0.304754D+02  0.699582D+01 -0.877402D+01
      3  -0.651986D+00  0.148522D+01 -0.308083D+02  0.837730D+01 -0.814724D+01
      4   0.787266D+01  0.428985D+01 -0.163697D+02  0.120680D+02 -0.463719D+01
      5   0.498763D+01  0.151826D+01  0.180209D+02 -0.473830D+01  0.148934D+02
      6   0.311071D+01  0.196113D+01 -0.463414D+00  0.501358D+00 -0.345530D+00
               211           212           213           214           215 
      1  -0.303648D+02  0.113429D+02 -0.638219D+01  0.318712D+02 -0.653474D+01
      2   0.141730D+02 -0.293433D+01  0.326691D+01 -0.165489D+02  0.324993D+01
      3   0.161918D+02 -0.840861D+01  0.311528D+01 -0.153223D+02  0.328482D+01
      4   0.166351D+02 -0.114651D+02  0.700030D+01 -0.795752D+01  0.968728D+01
      5  -0.785512D+01  0.684772D+01 -0.877416D+01  0.210001D+02 -0.619033D+01
      6   0.127285D+01 -0.122079D+01  0.170971D+01 -0.119050D+01  0.188082D+01
               216           217           218           219           220 
      1   0.149101D+02  0.169794D+02 -0.222846D+01 -0.103279D+02 -0.576250D+01
      2  -0.103945D+02 -0.118210D+02  0.112998D+01  0.825868D+01  0.334288D+01
      3  -0.451566D+01 -0.515841D+01  0.109848D+01  0.206925D+01  0.241962D+01
      4  -0.574350D+01 -0.145465D+01  0.369867D+01 -0.134564D+01  0.590710D+01
      5   0.123196D+02 -0.144584D+02 -0.886616D+00  0.180491D+02  0.511743D+00
      6  -0.169456D+01 -0.515738D+00 -0.103461D+01  0.901215D+00 -0.193470D+01
               221           222           223           224           225 
      1   0.212307D+01 -0.268640D+00 -0.227460D+02 -0.187513D+01  0.125293D+02
      2  -0.131225D+01 -0.192634D+00  0.178528D+02  0.101982D+01 -0.213238D+02
      3  -0.810816D+00  0.461274D+00  0.489329D+01  0.855302D+00  0.879457D+01
      4   0.172109D+01 -0.481454D+01 -0.227670D+01 -0.744531D+01  0.332205D-01
      5  -0.445735D+01 -0.230373D+01  0.307729D+02 -0.117336D+00 -0.475311D+02
      6   0.292934D+00  0.383219D+01  0.102725D+01  0.433315D+01 -0.262187D+01
               226           227           228           229           230 
      1  -0.145980D+02 -0.179011D+02  0.758912D-01 -0.131019D+02 -0.173862D+02
      2   0.139641D+02  0.220728D+02  0.692484D+00  0.144470D+02  0.243572D+02
      3   0.633876D+00 -0.417177D+01 -0.768376D+00 -0.134504D+01 -0.697094D+01
      4   0.116803D+02  0.341910D+00 -0.259465D+01  0.453111D+01  0.393836D-01
      5   0.573215D+01  0.762928D+00 -0.507243D+00  0.143496D+01  0.274735D+01
      6  -0.612696D+00  0.401967D+01  0.411913D+01  0.184041D+01  0.185377D+01
               231           232           233           234           235 
      1  -0.271617D+00  0.210481D+01  0.814093D+00 -0.330274D+01  0.377633D+01
      2  -0.933252D+00 -0.129267D+00 -0.381229D+01  0.162455D+01 -0.207148D+01
      3   0.120487D+01 -0.197554D+01  0.299820D+01  0.167819D+01 -0.170485D+01
      4   0.769614D+00 -0.214088D+01  0.314309D+01 -0.344088D+00 -0.718401D+01
      5  -0.973777D+00  0.121402D+01 -0.146490D+01 -0.167608D+01 -0.778701D+01
      6   0.409324D+01  0.170621D+01  0.387919D+01  0.138067D+01  0.414191D+01
               236           237           238           239           240 
      1  -0.279180D+01 -0.340945D+01 -0.783464D+00 -0.159578D+01 -0.315965D+01
      2   0.125852D+00  0.488038D+01 -0.797900D+00  0.102967D+01  0.311558D+01
      3   0.266595D+01 -0.147093D+01  0.158136D+01  0.566119D+00  0.440683D-01
      4   0.732026D+01  0.466304D+01  0.424756D+01 -0.230961D+01 -0.332452D+01
      5   0.308686D+01  0.114397D+02  0.356024D+00 -0.342168D+01 -0.237825D+01
      6  -0.216507D+01 -0.628573D+01 -0.136481D+01  0.352700D+01  0.723498D+01
               241           242           243           244           245 
      1  -0.428090D+01 -0.547601D+01 -0.854236D+01  0.237578D+02 -0.111340D+02
      2   0.604624D+01  0.457979D+01 -0.117507D+02  0.651971D+00 -0.852142D+01
      3  -0.176535D+01  0.896220D+00  0.202931D+02 -0.244098D+02  0.196554D+02
      4   0.820566D+01 -0.102673D+02 -0.131243D+02 -0.342118D+02  0.313361D+02
      5   0.152913D+02 -0.103655D+02 -0.334440D+02  0.525248D+01 -0.296173D+01
      6  -0.918837D+01  0.142421D+02  0.288649D+02 -0.487810D+01  0.328079D+01
               246           247           248           249           250 
      1   0.574955D+01 -0.845664D+01  0.292958D+01 -0.683909D+00  0.100785D+02
      2   0.575406D+00 -0.651327D+01  0.156706D+02 -0.429947D+01  0.765286D+00
      3  -0.632496D+01  0.149699D+02 -0.186002D+02  0.498338D+01 -0.108438D+02
      4  -0.790156D+01  0.237408D+02 -0.268561D+02  0.780826D+01 -0.158448D+02
      5   0.807820D+01 -0.244559D+01  0.494618D+01 -0.403676D+01  0.874752D+01
      6  -0.716676D+01  0.339721D+01 -0.496812D+01  0.528091D+01 -0.737442D+01
               251           252           253           254           255 
      1  -0.194545D+01  0.346408D+01 -0.102828D+02  0.107225D+02 -0.188172D+01
      2  -0.885765D+01 -0.177052D-01  0.436111D+01 -0.249312D+01  0.119584D+01
      3   0.108031D+02 -0.344637D+01  0.592164D+01 -0.822940D+01  0.685876D+00
      4   0.173517D+02 -0.101630D+02  0.135481D+02 -0.133175D+02 -0.851201D+00
      5  -0.686039D+01  0.545643D+01 -0.159488D+01 -0.658257D+00 -0.161975D+02
      6   0.735159D+01 -0.535033D+01  0.358952D+00 -0.255233D+00  0.182258D+01
               256           257           258           259           260 
      1  -0.423497D+01 -0.116809D+01 -0.201876D+01 -0.299859D+00 -0.677159D+00
      2  -0.379544D+00 -0.113460D+02  0.265083D-02 -0.201407D-01  0.183583D+01
      3   0.461452D+01  0.125141D+02  0.201611D+01  0.319999D+00 -0.115867D+01
      4  -0.279434D+02 -0.419213D+02  0.217434D+01  0.221442D+01  0.363435D+01
      5   0.128624D+01  0.196709D+01 -0.112633D+02  0.572032D+01 -0.486078D+01
      6  -0.983514D+00  0.670667D+00 -0.891566D+01  0.102956D+01  0.388207D+01
               261           262           263           264           265 
      1  -0.226876D+01 -0.251670D+02 -0.348503D+02  0.353251D+01 -0.513865D+02
      2  -0.632286D+01  0.169857D+02  0.157647D+02 -0.221723D+01  0.248029D+02
      3   0.859162D+01  0.818130D+01  0.190856D+02 -0.131528D+01  0.265836D+02
      4  -0.466352D+01 -0.381697D+02  0.653708D+01  0.121521D+01 -0.587430D+01
      5   0.344943D+01  0.354540D+01  0.107819D+01  0.529759D+01  0.125249D+01
      6   0.206651D+01 -0.106186D+01 -0.441866D+00 -0.215875D+01 -0.164949D+00
               266           267           268           269           270 
      1  -0.409625D+01  0.202661D+01  0.543228D+01  0.199837D+01  0.475706D+01
      2   0.352242D+01 -0.342287D+01 -0.193400D+01 -0.400930D+01 -0.516194D+01
      3   0.573829D+00  0.139627D+01 -0.349828D+01  0.201093D+01  0.404882D+00
      4   0.193579D+02  0.317588D+01  0.154694D+01  0.438273D+01  0.351026D+02
      5   0.354999D+01  0.299402D+02 -0.768526D+01  0.371240D+02 -0.822651D+01
      6  -0.189910D+01 -0.101482D+02  0.511044D+01 -0.139049D+02  0.275003D+01
               271           272           273           274           275 
      1   0.166906D+02  0.120332D+02 -0.162804D+01  0.400316D+02 -0.111969D+02
      2  -0.545196D+01 -0.388558D+01  0.590001D+00 -0.125444D+02  0.329300D+02
      3  -0.112386D+02 -0.814761D+01  0.103804D+01 -0.274872D+02 -0.217331D+02
      4   0.184930D+02  0.203040D+02 -0.402714D+00  0.356001D+02  0.744394D+02
      5  -0.121099D+01 -0.358484D+00  0.102116D+02 -0.272077D+00 -0.298945D+01
      6  -0.246140D+00  0.157437D+00  0.583505D+00  0.937471D+00 -0.335365D+00
               276           277           278           279           280 
      1   0.184351D+01 -0.354874D+01  0.105257D+01 -0.759475D-01  0.689644D+01
      2  -0.963964D+00  0.172675D+01 -0.147972D+01  0.823258D+00 -0.420208D+01
      3  -0.879542D+00  0.182199D+01  0.427142D+00 -0.747310D+00 -0.269436D+01
      4  -0.302742D+01 -0.145812D+01 -0.431024D+01  0.163872D+02 -0.155434D+01
      5   0.171000D+02  0.133189D+02  0.154305D+02 -0.429553D+01  0.656720D+01
      6   0.148329D+02  0.338156D+01  0.114331D+02 -0.208091D+01 -0.290654D+01
               281           282           283           284           285 
      1  -0.213576D+01  0.721058D+01 -0.816077D+01  0.305757D+00  0.178413D+01
      2   0.117621D+01 -0.331897D+01  0.293188D+01  0.441565D+01 -0.200551D+01
      3   0.959547D+00 -0.389161D+01  0.522889D+01 -0.472140D+01  0.221388D+00
      4   0.218286D+01 -0.310816D+01  0.139407D+02 -0.275988D+02  0.148936D+02
      5  -0.256859D+01  0.421538D+01 -0.642065D+01  0.153432D+02 -0.210570D+02
      6   0.182574D+00 -0.195198D+00  0.298999D+01 -0.892058D+01  0.105075D+02
               286           287           288           289           290 
      1   0.183550D+02 -0.238322D+00 -0.222102D+01  0.966309D+02  0.188618D+02
      2  -0.102343D+02 -0.809423D+00 -0.479272D+01 -0.513645D+02 -0.108609D+02
      3  -0.812070D+01  0.104774D+01  0.701374D+01 -0.452664D+02 -0.800086D+01
      4  -0.122512D+02  0.211141D+02 -0.224324D+02  0.137863D+02  0.143947D+02
      5   0.166024D+02 -0.238578D+02  0.397515D+02 -0.150960D+01 -0.308995D+00
      6  -0.502891D+01  0.121345D+02 -0.142680D+02  0.819706D+00  0.325565D+00
               291           292           293           294           295 
      1  -0.236270D+01  0.412959D+02  0.146001D+02 -0.830456D+00 -0.510039D+01
      2   0.118336D+01 -0.219372D+02 -0.704037D+01  0.635685D+00  0.268141D+01
      3   0.117934D+01 -0.193587D+02 -0.755970D+01  0.194771D+00  0.241898D+01
      4  -0.352321D+00  0.160521D+02  0.137648D+02 -0.965923D+00 -0.417326D+00
      5   0.132219D+02 -0.450415D+00 -0.896157D+00  0.448728D+01  0.132695D+02
      6  -0.728308D+00  0.396625D+00  0.409155D+00  0.179153D+01 -0.195625D+00
               296           297           298           299           300 
      1  -0.761682D+00  0.916399D+01  0.568099D+01 -0.304549D+01 -0.665260D+01
      2   0.770518D+00 -0.558268D+01 -0.254316D+01  0.179134D+01  0.300507D+01
      3  -0.883538D-02 -0.358131D+01 -0.313783D+01  0.125416D+01  0.364753D+01
      4  -0.148880D+01 -0.275906D+00 -0.176687D+01  0.176344D+01  0.240206D+01
      5   0.847334D-01 -0.865899D+00 -0.565521D+01  0.173822D+01  0.217830D+01
      6   0.253020D+01 -0.170497D+00  0.296455D+01  0.254442D+00  0.293311D+00
               301           302           303           304           305 
      1  -0.102867D+02 -0.956033D+00 -0.298017D+01 -0.169466D+02 -0.910828D+00
      2   0.321822D+01  0.902904D+01  0.474565D+01  0.809614D+01  0.414297D+01
      3   0.706844D+01 -0.807300D+01 -0.176548D+01  0.885042D+01 -0.323214D+01
      4   0.155871D+02 -0.353559D+02 -0.160385D+02  0.110931D+02 -0.231744D+02
      5   0.496186D+01 -0.169127D+02 -0.208417D+02  0.123722D+02 -0.232127D+02
      6  -0.268700D+01  0.984404D+01  0.997465D+01 -0.427022D+01  0.117551D+02
               306 
      1  -0.254610D+01
      2  -0.384334D+00
      3   0.293043D+01
      4  -0.216982D+02
      5  -0.285365D+02
      6   0.115573D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 20:54:00 2021, MaxMem= 17179869184 cpu:           35418.8 elap:            2959.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.30723 -19.25047 -10.43223 -10.35158 -10.30929
 Alpha  occ. eigenvalues --  -10.30756 -10.30751 -10.29783 -10.29110 -10.28965
 Alpha  occ. eigenvalues --  -10.28752 -10.28610 -10.28559 -10.28526  -1.19920
 Alpha  occ. eigenvalues --   -1.10948  -0.98377  -0.87182  -0.85688  -0.85169
 Alpha  occ. eigenvalues --   -0.83040  -0.77181  -0.76716  -0.72889  -0.71490
 Alpha  occ. eigenvalues --   -0.66694  -0.62162  -0.61405  -0.58312  -0.57532
 Alpha  occ. eigenvalues --   -0.57190  -0.55906  -0.55766  -0.53324  -0.52282
 Alpha  occ. eigenvalues --   -0.50514  -0.50084  -0.49453  -0.48616  -0.47903
 Alpha  occ. eigenvalues --   -0.47751  -0.46454  -0.46227  -0.44896  -0.44615
 Alpha  occ. eigenvalues --   -0.43378  -0.41941  -0.41382  -0.40083  -0.39922
 Alpha  occ. eigenvalues --   -0.37934  -0.37470  -0.36993  -0.36074
 Alpha virt. eigenvalues --    0.07793   0.08024   0.09223   0.10080   0.10479
 Alpha virt. eigenvalues --    0.11995   0.12259   0.13088   0.13486   0.13839
 Alpha virt. eigenvalues --    0.14538   0.15761   0.16292   0.16663   0.17206
 Alpha virt. eigenvalues --    0.17532   0.17916   0.18400   0.18434   0.18630
 Alpha virt. eigenvalues --    0.19557   0.20717   0.21233   0.21386   0.21858
 Alpha virt. eigenvalues --    0.22379   0.22939   0.23124   0.23459   0.24706
 Alpha virt. eigenvalues --    0.25263   0.25297   0.25593   0.26460   0.27132
 Alpha virt. eigenvalues --    0.27664   0.27784   0.28066   0.29270   0.29487
 Alpha virt. eigenvalues --    0.30277   0.31006   0.31225   0.31978   0.32602
 Alpha virt. eigenvalues --    0.33005   0.33413   0.33744   0.34020   0.34487
 Alpha virt. eigenvalues --    0.35314   0.36061   0.36424   0.36832   0.37374
 Alpha virt. eigenvalues --    0.37687   0.37975   0.38329   0.38655   0.39238
 Alpha virt. eigenvalues --    0.39358   0.39642   0.40035   0.40219   0.40784
 Alpha virt. eigenvalues --    0.41225   0.41444   0.41766   0.42109   0.42467
 Alpha virt. eigenvalues --    0.42951   0.43290   0.43405   0.43826   0.44166
 Alpha virt. eigenvalues --    0.44605   0.45170   0.45446   0.45760   0.45867
 Alpha virt. eigenvalues --    0.46323   0.46654   0.47207   0.47325   0.47581
 Alpha virt. eigenvalues --    0.47755   0.48032   0.48597   0.49106   0.49293
 Alpha virt. eigenvalues --    0.49921   0.50309   0.50445   0.51184   0.51358
 Alpha virt. eigenvalues --    0.51883   0.52379   0.53394   0.53496   0.53872
 Alpha virt. eigenvalues --    0.54299   0.54576   0.54913   0.55337   0.55969
 Alpha virt. eigenvalues --    0.56257   0.56686   0.57273   0.57758   0.58277
 Alpha virt. eigenvalues --    0.58562   0.59036   0.59248   0.59792   0.60271
 Alpha virt. eigenvalues --    0.60897   0.61304   0.61343   0.62147   0.62380
 Alpha virt. eigenvalues --    0.63096   0.63207   0.63612   0.64291   0.64795
 Alpha virt. eigenvalues --    0.65203   0.65567   0.65899   0.66035   0.66342
 Alpha virt. eigenvalues --    0.67053   0.67532   0.68023   0.68540   0.68741
 Alpha virt. eigenvalues --    0.68942   0.69590   0.70008   0.70225   0.71359
 Alpha virt. eigenvalues --    0.71524   0.71797   0.72452   0.72730   0.73689
 Alpha virt. eigenvalues --    0.73797   0.75087   0.75592   0.76072   0.76854
 Alpha virt. eigenvalues --    0.77659   0.78314   0.78926   0.79371   0.79946
 Alpha virt. eigenvalues --    0.80556   0.81384   0.82082   0.82888   0.83498
 Alpha virt. eigenvalues --    0.84722   0.85391   0.85754   0.86108   0.86549
 Alpha virt. eigenvalues --    0.87004   0.87407   0.87895   0.88358   0.89230
 Alpha virt. eigenvalues --    0.89915   0.90918   0.91635   0.92599   0.93082
 Alpha virt. eigenvalues --    0.93331   0.94384   0.95266   0.96877   0.97198
 Alpha virt. eigenvalues --    0.97577   0.98630   0.99429   1.00867   1.02060
 Alpha virt. eigenvalues --    1.02840   1.03422   1.04105   1.04480   1.05929
 Alpha virt. eigenvalues --    1.06530   1.07697   1.08161   1.08473   1.09315
 Alpha virt. eigenvalues --    1.09881   1.10392   1.11029   1.11725   1.12049
 Alpha virt. eigenvalues --    1.13349   1.13850   1.14228   1.15156   1.16087
 Alpha virt. eigenvalues --    1.16754   1.17522   1.18241   1.18433   1.20235
 Alpha virt. eigenvalues --    1.20490   1.22440   1.23517   1.23868   1.25138
 Alpha virt. eigenvalues --    1.26083   1.27675   1.29238   1.30346   1.31126
 Alpha virt. eigenvalues --    1.31921   1.35602   1.37359   1.38551   1.39335
 Alpha virt. eigenvalues --    1.40132   1.41707   1.42525   1.43412   1.44248
 Alpha virt. eigenvalues --    1.44693   1.47102   1.48543   1.49489   1.51128
 Alpha virt. eigenvalues --    1.51513   1.52916   1.54352   1.55345   1.56396
 Alpha virt. eigenvalues --    1.57325   1.57773   1.60563   1.63411   1.63673
 Alpha virt. eigenvalues --    1.65148   1.67344   1.67392   1.67516   1.68477
 Alpha virt. eigenvalues --    1.70594   1.71051   1.73255   1.73475   1.75005
 Alpha virt. eigenvalues --    1.76479   1.76893   1.77118   1.79361   1.80728
 Alpha virt. eigenvalues --    1.83124   1.83782   1.85310   1.85966   1.87541
 Alpha virt. eigenvalues --    1.88187   1.89273   1.90794   1.91652   1.92128
 Alpha virt. eigenvalues --    1.93550   1.94501   1.95363   1.96768   1.97307
 Alpha virt. eigenvalues --    1.97887   1.99095   2.00959   2.01550   2.02085
 Alpha virt. eigenvalues --    2.03350   2.05010   2.05561   2.06554   2.06996
 Alpha virt. eigenvalues --    2.08055   2.08746   2.09258   2.10540   2.11244
 Alpha virt. eigenvalues --    2.13083   2.13801   2.14777   2.15537   2.16154
 Alpha virt. eigenvalues --    2.16423   2.17788   2.18604   2.20650   2.21120
 Alpha virt. eigenvalues --    2.22349   2.23121   2.24506   2.25410   2.25843
 Alpha virt. eigenvalues --    2.26389   2.28670   2.29985   2.30389   2.31487
 Alpha virt. eigenvalues --    2.32348   2.33797   2.35544   2.36484   2.37413
 Alpha virt. eigenvalues --    2.37571   2.39021   2.39468   2.40834   2.41084
 Alpha virt. eigenvalues --    2.42813   2.43830   2.45240   2.46498   2.48546
 Alpha virt. eigenvalues --    2.49430   2.49973   2.51978   2.53509   2.53829
 Alpha virt. eigenvalues --    2.54651   2.56808   2.57704   2.58885   2.59979
 Alpha virt. eigenvalues --    2.62201   2.63638   2.63784   2.65472   2.66041
 Alpha virt. eigenvalues --    2.69451   2.70702   2.71168   2.73843   2.75920
 Alpha virt. eigenvalues --    2.78009   2.78280   2.78939   2.79561   2.80483
 Alpha virt. eigenvalues --    2.80837   2.82672   2.83208   2.83552   2.88787
 Alpha virt. eigenvalues --    2.90799   2.91329   2.92952   2.94269   2.96616
 Alpha virt. eigenvalues --    2.97996   3.02488   3.07127   3.07565   3.11118
 Alpha virt. eigenvalues --    3.12788   3.13731   3.14927   3.15620   3.17089
 Alpha virt. eigenvalues --    3.17775   3.19742   3.21046   3.23523   3.25002
 Alpha virt. eigenvalues --    3.25616   3.27646   3.27918   3.28793   3.30209
 Alpha virt. eigenvalues --    3.30972   3.35374   3.36626   3.37874   3.38432
 Alpha virt. eigenvalues --    3.40721   3.42300   3.43216   3.51053   3.74084
 Alpha virt. eigenvalues --    3.87347   3.94613
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.066410  -0.016149   0.034860   0.073392  -0.168695   0.191905
     2  C   -0.016149   5.991348   0.197307  -0.139982   0.216125  -0.350594
     3  C    0.034860   0.197307   6.924412  -0.171445   0.319169  -0.403713
     4  C    0.073392  -0.139982  -0.171445   5.594714  -0.324348  -0.071253
     5  C   -0.168695   0.216125   0.319169  -0.324348   9.755046  -2.224701
     6  C    0.191905  -0.350594  -0.403713  -0.071253  -2.224701  17.271016
     7  H    0.360227  -0.160325  -0.099615   0.048165  -0.004452  -0.134178
     8  H   -0.029388   0.130412   0.045723  -0.094283  -0.006297   0.048098
     9  H   -0.016815  -0.407739   0.038710  -0.004604   0.300463  -0.338835
    10  H   -0.146593   0.106069  -0.002338  -0.017830  -0.124105   0.140598
    11  C   -0.065828  -0.554268  -1.734925   0.154780  -1.208655  -1.414374
    12  H   -0.133648  -0.025492   0.235748  -0.158265   0.044671  -0.095318
    13  H    0.064775  -0.045682  -0.463256   0.419877  -0.360402   0.078654
    14  H   -0.073538   0.023862   0.072070  -0.183586   0.316483  -0.020072
    15  H   -0.023601   0.046599   0.029081  -0.230402   0.018995  -0.390898
    16  O    0.015580  -0.062219   0.005208   0.122240  -1.857146  -0.056533
    17  C   -0.025219  -0.064124   0.057951  -0.027641   0.389841  -2.293673
    18  C   -0.023771  -0.046695   0.104484   0.005506   0.226215  -0.205722
    19  C    0.026707   0.024905   0.159560  -0.054526  -0.034530   0.083107
    20  H    0.003274  -0.023633  -0.007521   0.005041  -0.007674   0.288765
    21  H   -0.000090  -0.001290   0.004573  -0.001827   0.031856   0.085377
    22  H    0.000784  -0.007134   0.006799  -0.002401  -0.036991   0.230164
    23  H   -0.010911  -0.067597  -0.009516   0.000761   0.017609  -0.063794
    24  H   -0.024504   0.020236   0.068460  -0.007297  -0.001402   0.000489
    25  H    0.004499  -0.005206  -0.017736  -0.003372   0.028350  -0.151730
    26  H    0.000074  -0.000439  -0.067300   0.022134   0.084561  -0.176759
    27  H   -0.000167  -0.004310  -0.018936   0.006954  -0.007028  -0.032792
    28  H   -0.004335  -0.000187   0.082860  -0.019231   0.010366   0.030377
    29  C    0.002455  -0.006818  -0.017143   0.016853  -0.003256  -0.029086
    30  C    0.000539   0.000771  -0.000573   0.007075  -0.005060  -0.006297
    31  O    0.000251  -0.002737   0.003782   0.006556  -0.174435   0.033080
    32  H   -0.000075   0.001794   0.000005  -0.000336   0.015919  -0.004849
    33  H   -0.000044  -0.000022   0.000127  -0.000752   0.012502   0.000462
    34  H   -0.000044  -0.000397  -0.000292  -0.000793   0.013370  -0.001340
               7          8          9         10         11         12
     1  C    0.360227  -0.029388  -0.016815  -0.146593  -0.065828  -0.133648
     2  C   -0.160325   0.130412  -0.407739   0.106069  -0.554268  -0.025492
     3  C   -0.099615   0.045723   0.038710  -0.002338  -1.734925   0.235748
     4  C    0.048165  -0.094283  -0.004604  -0.017830   0.154780  -0.158265
     5  C   -0.004452  -0.006297   0.300463  -0.124105  -1.208655   0.044671
     6  C   -0.134178   0.048098  -0.338835   0.140598  -1.414374  -0.095318
     7  H    2.391335  -0.921724   0.316134  -0.585422   0.013730  -0.159965
     8  H   -0.921724   2.047781  -0.380882   0.292747   0.028253   0.095700
     9  H    0.316134  -0.380882   2.783941  -1.264761   0.056875  -0.000592
    10  H   -0.585422   0.292747  -1.264761   2.802770  -0.126040   0.007805
    11  C    0.013730   0.028253   0.056875  -0.126040  18.600856  -0.571699
    12  H   -0.159965   0.095700  -0.000592   0.007805  -0.571699   2.262881
    13  H   -0.017251   0.022555  -0.012938   0.007389   0.326384  -0.252946
    14  H    0.012750   0.006802   0.011713  -0.007836  -0.072787   0.131053
    15  H    0.009317  -0.010255   0.029749  -0.020385  -0.522260   0.020587
    16  O    0.012192  -0.014386  -0.097223   0.066311   0.360784  -0.027292
    17  C   -0.004580   0.001106   0.150591  -0.074247  -0.010987   0.003669
    18  C   -0.010918  -0.004178   0.014456  -0.011657  -1.788364   0.116886
    19  C   -0.016910   0.002899   0.000885  -0.002332  -1.506333   0.100065
    20  H    0.000901  -0.000194   0.033223  -0.032951   0.013952   0.000087
    21  H   -0.001513   0.000796  -0.007645   0.048545  -0.059495   0.001860
    22  H   -0.000198   0.000041  -0.002297   0.002259  -0.106254   0.001814
    23  H    0.059212  -0.005665   0.017183  -0.005590   0.120659   0.007189
    24  H   -0.004619   0.002435  -0.000226   0.003988   0.113125   0.053389
    25  H   -0.001788   0.000857   0.002069  -0.004060   0.359052  -0.002387
    26  H   -0.001600   0.002058   0.000366   0.000431   0.238794   0.003213
    27  H   -0.000185   0.000021   0.000277   0.000166   0.347083  -0.002496
    28  H   -0.000705  -0.000686   0.000014   0.000685   0.001023   0.043389
    29  C    0.000573  -0.005778  -0.009906   0.000207   0.050101  -0.002386
    30  C   -0.000023  -0.000056  -0.004988   0.000460   0.000698  -0.000033
    31  O    0.000050   0.000406   0.001137   0.000096   0.005590  -0.000560
    32  H   -0.000003   0.000015  -0.000886   0.000089  -0.000179  -0.000002
    33  H    0.000000  -0.000004  -0.000024  -0.000011  -0.000193   0.000001
    34  H    0.000015  -0.000197  -0.001709  -0.000031   0.000011  -0.000005
              13         14         15         16         17         18
     1  C    0.064775  -0.073538  -0.023601   0.015580  -0.025219  -0.023771
     2  C   -0.045682   0.023862   0.046599  -0.062219  -0.064124  -0.046695
     3  C   -0.463256   0.072070   0.029081   0.005208   0.057951   0.104484
     4  C    0.419877  -0.183586  -0.230402   0.122240  -0.027641   0.005506
     5  C   -0.360402   0.316483   0.018995  -1.857146   0.389841   0.226215
     6  C    0.078654  -0.020072  -0.390898  -0.056533  -2.293673  -0.205722
     7  H   -0.017251   0.012750   0.009317   0.012192  -0.004580  -0.010918
     8  H    0.022555   0.006802  -0.010255  -0.014386   0.001106  -0.004178
     9  H   -0.012938   0.011713   0.029749  -0.097223   0.150591   0.014456
    10  H    0.007389  -0.007836  -0.020385   0.066311  -0.074247  -0.011657
    11  C    0.326384  -0.072787  -0.522260   0.360784  -0.010987  -1.788364
    12  H   -0.252946   0.131053   0.020587  -0.027292   0.003669   0.116886
    13  H    3.084697  -1.074376  -0.720344   0.137955  -0.011331  -0.028095
    14  H   -1.074376   2.042895   0.294629  -0.232861   0.002171   0.008664
    15  H   -0.720344   0.294629   3.374615  -0.520583  -0.055736   0.014553
    16  O    0.137955  -0.232861  -0.520583  11.917793  -0.044278  -0.011127
    17  C   -0.011331   0.002171  -0.055736  -0.044278   5.798630   0.034646
    18  C   -0.028095   0.008664   0.014553  -0.011127   0.034646   6.017244
    19  C   -0.112333   0.005692   0.048959  -0.005039  -0.027164  -0.365827
    20  H    0.001315   0.000093  -0.025820  -0.044141   0.059053  -0.000636
    21  H   -0.001112   0.000197   0.015302   0.012704   0.052569   0.001071
    22  H   -0.002017   0.000713   0.010517   0.003700   0.099162   0.020996
    23  H   -0.001611   0.001722   0.000973  -0.001955   0.025239   0.125788
    24  H   -0.001282  -0.000561   0.001460   0.000245  -0.003155  -0.063197
    25  H   -0.000794  -0.000013   0.002726   0.000323   0.040635  -0.131185
    26  H    0.059853  -0.009589   0.022089   0.001798   0.008224   0.048900
    27  H   -0.000920   0.001319  -0.022545  -0.005484   0.027731  -0.007934
    28  H   -0.007293   0.002121   0.003707  -0.002854   0.001511   0.047109
    29  C    0.047466  -0.019312  -0.083208  -1.191022   0.002326  -0.000203
    30  C    0.000456  -0.001398   0.011114  -0.281043   0.000028  -0.000002
    31  O    0.004574  -0.009210  -0.027334   0.362887  -0.001203  -0.000398
    32  H   -0.000067   0.000199   0.005181  -0.040906   0.000027   0.000001
    33  H   -0.000216   0.000381   0.000732   0.104435  -0.000026   0.000001
    34  H   -0.000314   0.000919   0.002851  -0.062443   0.000093  -0.000000
              19         20         21         22         23         24
     1  C    0.026707   0.003274  -0.000090   0.000784  -0.010911  -0.024504
     2  C    0.024905  -0.023633  -0.001290  -0.007134  -0.067597   0.020236
     3  C    0.159560  -0.007521   0.004573   0.006799  -0.009516   0.068460
     4  C   -0.054526   0.005041  -0.001827  -0.002401   0.000761  -0.007297
     5  C   -0.034530  -0.007674   0.031856  -0.036991   0.017609  -0.001402
     6  C    0.083107   0.288765   0.085377   0.230164  -0.063794   0.000489
     7  H   -0.016910   0.000901  -0.001513  -0.000198   0.059212  -0.004619
     8  H    0.002899  -0.000194   0.000796   0.000041  -0.005665   0.002435
     9  H    0.000885   0.033223  -0.007645  -0.002297   0.017183  -0.000226
    10  H   -0.002332  -0.032951   0.048545   0.002259  -0.005590   0.003988
    11  C   -1.506333   0.013952  -0.059495  -0.106254   0.120659   0.113125
    12  H    0.100065   0.000087   0.001860   0.001814   0.007189   0.053389
    13  H   -0.112333   0.001315  -0.001112  -0.002017  -0.001611  -0.001282
    14  H    0.005692   0.000093   0.000197   0.000713   0.001722  -0.000561
    15  H    0.048959  -0.025820   0.015302   0.010517   0.000973   0.001460
    16  O   -0.005039  -0.044141   0.012704   0.003700  -0.001955   0.000245
    17  C   -0.027164   0.059053   0.052569   0.099162   0.025239  -0.003155
    18  C   -0.365827  -0.000636   0.001071   0.020996   0.125788  -0.063197
    19  C    5.792735  -0.001851   0.018624  -0.000607   0.033684   0.028303
    20  H   -0.001851   0.663466  -0.082336  -0.023543  -0.000773  -0.000154
    21  H    0.018624  -0.082336   0.792977  -0.068420  -0.006353   0.002693
    22  H   -0.000607  -0.023543  -0.068420   0.692313   0.000739  -0.000684
    23  H    0.033684  -0.000773  -0.006353   0.000739   1.027211  -0.115175
    24  H    0.028303  -0.000154   0.002693  -0.000684  -0.115175   0.823277
    25  H    0.026686   0.000304   0.024487  -0.002658  -0.096087  -0.049826
    26  H    0.079346   0.000446   0.001671   0.002614  -0.004431   0.007559
    27  H   -0.116834  -0.000134  -0.006586   0.022700   0.004919  -0.019749
    28  H   -0.057337  -0.000427  -0.001125   0.001422   0.011218   0.017875
    29  C   -0.002830   0.000339  -0.000342   0.003765   0.000082  -0.000044
    30  C   -0.000045  -0.000345  -0.000052   0.000088  -0.000005   0.000001
    31  O    0.000765  -0.000879   0.000030   0.001084  -0.000014   0.000011
    32  H   -0.000006  -0.000394   0.000027   0.000140  -0.000000   0.000000
    33  H    0.000001   0.000022   0.000000  -0.000009   0.000000   0.000000
    34  H   -0.000004  -0.000059  -0.000003   0.000005   0.000000   0.000000
              25         26         27         28         29         30
     1  C    0.004499   0.000074  -0.000167  -0.004335   0.002455   0.000539
     2  C   -0.005206  -0.000439  -0.004310  -0.000187  -0.006818   0.000771
     3  C   -0.017736  -0.067300  -0.018936   0.082860  -0.017143  -0.000573
     4  C   -0.003372   0.022134   0.006954  -0.019231   0.016853   0.007075
     5  C    0.028350   0.084561  -0.007028   0.010366  -0.003256  -0.005060
     6  C   -0.151730  -0.176759  -0.032792   0.030377  -0.029086  -0.006297
     7  H   -0.001788  -0.001600  -0.000185  -0.000705   0.000573  -0.000023
     8  H    0.000857   0.002058   0.000021  -0.000686  -0.005778  -0.000056
     9  H    0.002069   0.000366   0.000277   0.000014  -0.009906  -0.004988
    10  H   -0.004060   0.000431   0.000166   0.000685   0.000207   0.000460
    11  C    0.359052   0.238794   0.347083   0.001023   0.050101   0.000698
    12  H   -0.002387   0.003213  -0.002496   0.043389  -0.002386  -0.000033
    13  H   -0.000794   0.059853  -0.000920  -0.007293   0.047466   0.000456
    14  H   -0.000013  -0.009589   0.001319   0.002121  -0.019312  -0.001398
    15  H    0.002726   0.022089  -0.022545   0.003707  -0.083208   0.011114
    16  O    0.000323   0.001798  -0.005484  -0.002854  -1.191022  -0.281043
    17  C    0.040635   0.008224   0.027731   0.001511   0.002326   0.000028
    18  C   -0.131185   0.048900  -0.007934   0.047109  -0.000203  -0.000002
    19  C    0.026686   0.079346  -0.116834  -0.057337  -0.002830  -0.000045
    20  H    0.000304   0.000446  -0.000134  -0.000427   0.000339  -0.000345
    21  H    0.024487   0.001671  -0.006586  -0.001125  -0.000342  -0.000052
    22  H   -0.002658   0.002614   0.022700   0.001422   0.003765   0.000088
    23  H   -0.096087  -0.004431   0.004919   0.011218   0.000082  -0.000005
    24  H   -0.049826   0.007559  -0.019749   0.017875  -0.000044   0.000001
    25  H    0.806595   0.003746   0.013935  -0.023159  -0.000025   0.000000
    26  H    0.003746   1.015540  -0.082102  -0.121203  -0.002640  -0.000011
    27  H    0.013935  -0.082102   0.769900  -0.057794   0.000148  -0.000018
    28  H   -0.023159  -0.121203  -0.057794   0.823671  -0.000210   0.000000
    29  C   -0.000025  -0.002640   0.000148  -0.000210   6.044463   0.723487
    30  C    0.000000  -0.000011  -0.000018   0.000000   0.723487   4.361844
    31  O   -0.000023  -0.000843  -0.000354  -0.000115   0.022004  -0.096632
    32  H    0.000000  -0.000009  -0.000001  -0.000000   0.091079   0.285145
    33  H    0.000000  -0.000002  -0.000000  -0.000000   0.088158   0.183146
    34  H    0.000000   0.000000  -0.000000  -0.000000   0.117375   0.278096
              31         32         33         34
     1  C    0.000251  -0.000075  -0.000044  -0.000044
     2  C   -0.002737   0.001794  -0.000022  -0.000397
     3  C    0.003782   0.000005   0.000127  -0.000292
     4  C    0.006556  -0.000336  -0.000752  -0.000793
     5  C   -0.174435   0.015919   0.012502   0.013370
     6  C    0.033080  -0.004849   0.000462  -0.001340
     7  H    0.000050  -0.000003   0.000000   0.000015
     8  H    0.000406   0.000015  -0.000004  -0.000197
     9  H    0.001137  -0.000886  -0.000024  -0.001709
    10  H    0.000096   0.000089  -0.000011  -0.000031
    11  C    0.005590  -0.000179  -0.000193   0.000011
    12  H   -0.000560  -0.000002   0.000001  -0.000005
    13  H    0.004574  -0.000067  -0.000216  -0.000314
    14  H   -0.009210   0.000199   0.000381   0.000919
    15  H   -0.027334   0.005181   0.000732   0.002851
    16  O    0.362887  -0.040906   0.104435  -0.062443
    17  C   -0.001203   0.000027  -0.000026   0.000093
    18  C   -0.000398   0.000001   0.000001  -0.000000
    19  C    0.000765  -0.000006   0.000001  -0.000004
    20  H   -0.000879  -0.000394   0.000022  -0.000059
    21  H    0.000030   0.000027   0.000000  -0.000003
    22  H    0.001084   0.000140  -0.000009   0.000005
    23  H   -0.000014  -0.000000   0.000000   0.000000
    24  H    0.000011   0.000000   0.000000   0.000000
    25  H   -0.000023   0.000000   0.000000   0.000000
    26  H   -0.000843  -0.000009  -0.000002   0.000000
    27  H   -0.000354  -0.000001  -0.000000  -0.000000
    28  H   -0.000115  -0.000000  -0.000000  -0.000000
    29  C    0.022004   0.091079   0.088158   0.117375
    30  C   -0.096632   0.285145   0.183146   0.278096
    31  O    8.408999  -0.010369   0.041653  -0.011028
    32  H   -0.010369   0.490416   0.007134   0.043983
    33  H    0.041653   0.007134   0.546557   0.015531
    34  H   -0.011028   0.043983   0.015531   0.486625
 Mulliken charges:
               1
     1  C    0.917683
     2  C    1.233612
     3  C    0.623420
     4  C    1.030125
     5  C    0.747639
     6  C   -4.015581
     7  H   -0.098629
     8  H   -0.254734
     9  H   -0.205714
    10  H   -0.054426
    11  C   -5.049108
    12  H   -0.696919
    13  H   -0.141369
    14  H   -0.231308
    15  H   -0.310367
    16  O   -0.565620
    17  C    1.888160
    18  C    1.913387
    19  C    1.871584
    20  H    0.183183
    21  H    0.142830
    22  H    0.151392
    23  H   -0.064711
    24  H    0.148328
    25  H    0.175783
    26  H   -0.136488
    27  H    0.191217
    28  H    0.219314
    29  C    0.163328
    30  C    0.543631
    31  O   -0.556821
    32  H    0.116929
    33  H    0.000461
    34  H    0.119786
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.564320
     2  C    0.973473
     3  C   -0.073499
     4  C    0.657448
     5  C    0.437272
     6  C   -4.015581
    11  C   -5.049108
    16  O   -0.565620
    17  C    2.365565
    18  C    2.172788
    19  C    2.145628
    29  C    0.163328
    30  C    0.780807
    31  O   -0.556821
 Electronic spatial extent (au):  <R**2>=           2854.1472
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.0724    Y=             -1.8101    Z=              0.1165  Tot=              2.1071
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -85.5410   YY=            -90.8691   ZZ=            -85.8614
   XY=             -8.3971   XZ=              0.6077   YZ=              0.3034
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              1.8829   YY=             -3.4453   ZZ=              1.5624
   XY=             -8.3971   XZ=              0.6077   YZ=              0.3034
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             33.7577  YYY=             -3.4477  ZZZ=             -0.0340  XYY=             -6.9050
  XXY=            -28.2999  XXZ=              1.3442  XZZ=              8.6925  YZZ=              1.1879
  YYZ=              0.1463  XYZ=              2.3340
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2405.7652 YYYY=           -708.0614 ZZZZ=           -668.6517 XXXY=            -88.5137
 XXXZ=             18.0417 YYYX=            -12.2947 YYYZ=             -4.1300 ZZZX=             -2.0122
 ZZZY=              0.8686 XXYY=           -566.1945 XXZZ=           -515.6522 YYZZ=           -225.2272
 XXYZ=             -1.0840 YYXZ=              3.7411 ZZXY=             -3.7099
 N-N= 1.014886119732D+03 E-N=-3.466467063971D+03  KE= 6.120319658724D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 20:54:01 2021, MaxMem= 17179869184 cpu:               3.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.99881884D-01-6.82884299D-01 4.29922905D-02
 Polarizability= 1.58276184D+02-2.40980466D+00 1.33105099D+02
                -7.47736341D-01-3.61990215D-01 1.27567661D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.3786    0.3789       -0.9351   -0.9363
 2     -0.3786   -0.3789        0.2049    0.2050      -12.2811  -12.2841
 3      0.9351    0.9363       15.2394   15.2397       -0.2034   -0.2050
 4     -0.2049   -0.2050        0.0000    0.0000        0.9326    0.9363
 5     -2.9584   -2.9556       -0.9326   -0.9363        0.3757    0.3789
 6      0.2034    0.2050       -0.3757   -0.3789       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -1.1366   -1.1366       -2.8090   -2.8090
 2     -0.6149   -0.6149        0.0000    0.0000       -2.8090   -2.8090
 3     -0.6149   -0.6149       -1.1366   -1.1366        0.0000    0.0000
 4     -1.1366   -1.1366        0.6149    0.6149      -36.8522  -36.8522
 5      2.8090    2.8090       45.7191   45.7191       -0.6149   -0.6149
 6     -8.8669   -8.8669       -2.8090   -2.8090        1.1366    1.1366
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4312    0.0000       -1.6439   -1.5154        0.2440    3.7453
 2      2.0049    1.5154        0.3447   -0.8199       50.0528   49.1362
 3     -3.8900   -3.7453      -60.8266  -60.9588        0.8857    0.8199
 4      0.4265    0.8199       -0.2682    0.0000       -4.2975   -3.7453
 5     11.9622   11.8226        3.8908    3.7453       -1.4730   -1.5154
 6     -0.7174   -0.8199        1.2251    1.5154        0.0409    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0748    0.0000        3.2372    2.6701       -0.8408   -0.5564
 2     -2.5475   -2.6701      -26.3105  -25.4051        9.2843    8.4614
 3      1.9747    0.5564        7.5704    7.3168       35.8047   25.4051
 4     24.5211   25.4051       -0.4652    0.0000        0.4646    0.5564
 5    -16.1599  -15.7782       -0.3195   -0.5564        0.6653    2.6701
 6    -24.5489  -25.4051       -2.7764   -2.6701        0.2171    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     10.4757    9.1894      -21.9490  -22.2292        6.8932    5.9387
 2     50.1945   49.9171      -13.8146  -13.7762        6.5198    5.9387
 3     50.1493   49.9171      -22.5900  -22.2292       11.4221   10.9998
 4     -8.3388   -8.4530      -41.4109  -40.7277       17.8573   17.4085
 5      6.4165    5.0611       11.8253   11.4785       49.8955   40.7277
 6    -30.0233  -28.8869       -3.8819   -5.0611        4.2964    8.4530
 Full mass-weighted force constant matrix:
 Low frequencies ---  -11.7112   -3.4433   -0.0003    0.0004    0.0007    8.6356
 Low frequencies ---   40.5012   50.2144   73.1277
 Diagonal vibrational polarizability:
       23.6480820       5.0507442      43.4344238
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     40.4956                50.1465                73.1139
 Red. masses --      1.2950                 4.3860                 2.4626
 Frc consts  --      0.0013                 0.0065                 0.0078
 IR Inten    --      1.9027                 0.3207                 1.2786
 RamAct Fr= 1--      0.4584                 0.8095                 0.1474
  Dep-P Fr= 1--      0.7446                 0.7162                 0.7497
  Dep-U Fr= 1--      0.8536                 0.8346                 0.8569
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0000
 Beta2  Fr= 1--      0.0652                 0.1126                 0.0211
 AlphaG Fr= 1--      0.0002                 0.0015                -0.0000
 Gamma2 Fr= 1--      0.0315                 0.0193                 0.0153
 Delta2 Fr= 1--      0.0265                 0.0322                -0.0117
 Raman1 Fr= 1--       1.834                  3.238                  0.590
 ROA1   Fr= 1--       3.868                  2.886                  1.091
 CID1   Fr= 1--       2.110                  0.891                  1.851
 Raman2 Fr= 1--       0.783                  1.351                  0.253
 ROA2   Fr= 1--       0.543                  0.207                  0.460
 CID2   Fr= 1--       0.693                  0.153                  1.823
 Raman3 Fr= 1--       1.565                  2.702                  0.505
 ROA3   Fr= 1--       3.868                  2.886                  1.091
 CID3   Fr= 1--       2.471                  1.068                  2.160
 RC180  Fr= 1--       0.707                  0.669                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.02  -0.02    -0.15  -0.04  -0.01     0.10  -0.02   0.03
     2   6     0.00   0.00  -0.02    -0.04  -0.02  -0.04     0.03   0.01   0.06
     3   6     0.00   0.02   0.01    -0.10  -0.03  -0.03     0.01  -0.02  -0.00
     4   6     0.00   0.01   0.01    -0.07  -0.06  -0.13    -0.02   0.06   0.02
     5   6     0.00  -0.00   0.01     0.00  -0.02  -0.14    -0.00   0.04   0.01
     6   6    -0.00  -0.01  -0.00     0.03  -0.01  -0.06     0.00   0.04   0.02
     7   1    -0.00   0.03  -0.02    -0.18  -0.02   0.09     0.14  -0.07  -0.03
     8   1    -0.00   0.03  -0.02    -0.22  -0.07  -0.07     0.16   0.01   0.07
     9   1     0.00   0.01  -0.03    -0.04  -0.02  -0.11     0.03   0.00   0.11
    10   1     0.00  -0.00  -0.03    -0.00  -0.01   0.03     0.01   0.04   0.05
    11   6     0.00   0.00   0.01     0.01   0.01   0.01    -0.02  -0.01  -0.01
    12   1     0.00   0.03   0.01    -0.13  -0.03   0.01    -0.00  -0.06  -0.02
    13   1     0.01   0.02   0.03    -0.05  -0.07  -0.18    -0.10   0.07   0.06
    14   1     0.00   0.02   0.01    -0.13  -0.11  -0.15     0.01   0.13   0.01
    15   1    -0.00  -0.01   0.02     0.03  -0.00  -0.18     0.03   0.03   0.02
    16   8     0.00  -0.00   0.01     0.01  -0.01  -0.18    -0.02   0.01  -0.06
    17   6    -0.00  -0.03  -0.01     0.13   0.01  -0.06    -0.01   0.09   0.03
    18   6     0.00  -0.00  -0.00     0.01   0.03   0.12    -0.00  -0.06  -0.04
    19   6     0.00  -0.01   0.03     0.07   0.02  -0.02    -0.08  -0.01  -0.03
    20   1    -0.00  -0.04  -0.02     0.15   0.00  -0.11     0.01   0.13   0.06
    21   1    -0.00  -0.04  -0.02     0.15   0.03   0.01     0.01   0.07   0.04
    22   1    -0.00  -0.04   0.01     0.18   0.02  -0.07    -0.04   0.11  -0.00
    23   1     0.00   0.00  -0.01    -0.02   0.02   0.19     0.02  -0.04  -0.11
    24   1     0.00   0.00   0.00    -0.02   0.01   0.14    -0.02  -0.04  -0.00
    25   1    -0.00  -0.01  -0.00     0.08   0.09   0.14     0.00  -0.13  -0.04
    26   1     0.00  -0.00   0.03     0.05   0.01  -0.14    -0.06  -0.02   0.09
    27   1     0.01  -0.02   0.03     0.19   0.05   0.01    -0.21  -0.02  -0.06
    28   1    -0.00  -0.00   0.04     0.01   0.00   0.06    -0.02  -0.01  -0.12
    29   6    -0.00  -0.00  -0.02     0.02   0.02   0.08     0.00  -0.03  -0.01
    30   6     0.00   0.01   0.09     0.02   0.03   0.13    -0.04  -0.09  -0.17
    31   8    -0.01  -0.01  -0.10     0.03   0.04   0.27     0.06  -0.01   0.16
    32   1     0.24   0.45   0.38     0.10   0.22   0.25     0.20   0.14  -0.01
    33   1    -0.01  -0.03  -0.39     0.02   0.02  -0.03    -0.03  -0.17  -0.56
    34   1    -0.22  -0.39   0.45    -0.05  -0.14   0.29    -0.35  -0.29   0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --     96.9674               148.6003               195.9384
 Red. masses --      2.9928                 1.6114                 1.5228
 Frc consts  --      0.0166                 0.0210                 0.0344
 IR Inten    --      1.5086                 1.5029                 0.4664
 RamAct Fr= 1--      0.1308                 0.1003                 0.2730
  Dep-P Fr= 1--      0.7360                 0.5578                 0.6347
  Dep-U Fr= 1--      0.8479                 0.7162                 0.7765
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0006
 Beta2  Fr= 1--      0.0185                 0.0120                 0.0353
 AlphaG Fr= 1--      0.0001                 0.0000                -0.0027
 Gamma2 Fr= 1--      0.0274                -0.1548                -0.0550
 Delta2 Fr= 1--      0.0505                -0.0188                -0.0238
 Raman1 Fr= 1--       0.523                  0.401                  1.092
 ROA1   Fr= 1--       4.248                -15.467                 -6.044
 CID1   Fr= 1--       8.120                -38.553                 -5.535
 Raman2 Fr= 1--       0.222                  0.144                  0.424
 ROA2   Fr= 1--       0.254                 -3.566                 -1.131
 CID2   Fr= 1--       1.147                -24.821                 -2.667
 Raman3 Fr= 1--       0.444                  0.287                  0.848
 ROA3   Fr= 1--       4.248                -15.467                 -6.044
 CID3   Fr= 1--       9.577                -53.834                 -7.127
 RC180  Fr= 1--       0.696                  0.432                  0.553
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03  -0.01    -0.06   0.01  -0.01    -0.03  -0.00  -0.03
     2   6     0.06   0.04  -0.01     0.06   0.02  -0.04     0.02   0.01  -0.04
     3   6    -0.05   0.02   0.00    -0.01   0.00  -0.01    -0.01  -0.01  -0.01
     4   6    -0.07   0.10  -0.02     0.01  -0.03  -0.01     0.01  -0.03  -0.01
     5   6    -0.01   0.08  -0.05    -0.01   0.05   0.02    -0.01   0.02   0.02
     6   6     0.02   0.04  -0.01     0.00   0.02  -0.01    -0.00  -0.00  -0.01
     7   1     0.07  -0.02  -0.03    -0.10   0.03   0.09    -0.04  -0.00   0.00
     8   1     0.07   0.08  -0.00    -0.14  -0.02  -0.07    -0.06  -0.00  -0.05
     9   1     0.07   0.06  -0.01     0.10   0.11  -0.10     0.03   0.03  -0.06
    10   1     0.07   0.03  -0.01     0.15  -0.05  -0.02     0.04  -0.02  -0.03
    11   6    -0.03  -0.02   0.02    -0.01  -0.00  -0.00    -0.00   0.00  -0.01
    12   1    -0.09  -0.01   0.02    -0.00   0.03   0.00     0.00   0.01  -0.01
    13   1    -0.14   0.11   0.02     0.05  -0.04  -0.09     0.03  -0.04  -0.06
    14   1    -0.07   0.17  -0.06     0.00  -0.10   0.02     0.00  -0.08   0.02
    15   1     0.02   0.07  -0.04    -0.06   0.08  -0.00    -0.06   0.04   0.00
    16   8    -0.03   0.04  -0.07    -0.00   0.07   0.09    -0.00   0.04   0.09
    17   6     0.09   0.06  -0.01    -0.02  -0.04  -0.02     0.00  -0.06  -0.02
    18   6     0.01  -0.11   0.03     0.01  -0.04   0.03     0.02  -0.00   0.10
    19   6    -0.11  -0.04   0.04    -0.03   0.00  -0.03     0.00   0.03  -0.08
    20   1     0.13   0.11  -0.04    -0.02  -0.04  -0.02     0.13   0.14  -0.02
    21   1     0.13   0.00   0.02    -0.02  -0.06  -0.06     0.13  -0.28  -0.07
    22   1     0.05   0.06  -0.02    -0.04  -0.06   0.02    -0.24  -0.07   0.02
    23   1     0.05  -0.09  -0.06     0.13  -0.14   0.37    -0.09   0.09  -0.21
    24   1    -0.04  -0.10   0.11     0.04  -0.28  -0.23    -0.10   0.20   0.44
    25   1     0.05  -0.21   0.05    -0.11   0.28  -0.02     0.27  -0.31   0.19
    26   1    -0.12  -0.01   0.11    -0.14   0.11  -0.34     0.07  -0.04   0.07
    27   1    -0.17  -0.07   0.03     0.28   0.02   0.04    -0.22   0.11  -0.14
    28   1    -0.10  -0.05   0.01    -0.26  -0.12   0.18     0.15   0.06  -0.28
    29   6     0.02  -0.04  -0.01     0.02   0.01   0.02     0.00   0.02   0.03
    30   6    -0.06  -0.13   0.19    -0.04  -0.06  -0.04    -0.03  -0.02  -0.02
    31   8     0.11  -0.06  -0.09     0.08   0.01   0.00     0.03   0.01  -0.00
    32   1    -0.35  -0.25   0.10    -0.01  -0.05  -0.03    -0.01  -0.03  -0.02
    33   1    -0.00  -0.19   0.50    -0.00  -0.13  -0.12    -0.01  -0.06  -0.07
    34   1     0.11  -0.01   0.07    -0.15  -0.07  -0.03    -0.10  -0.02  -0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    219.6226               223.4060               235.2566
 Red. masses --      1.2783                 1.2787                 2.3707
 Frc consts  --      0.0363                 0.0376                 0.0773
 IR Inten    --      0.1986                 1.7709                 0.5074
 RamAct Fr= 1--      0.4612                 0.4880                 0.2829
  Dep-P Fr= 1--      0.3186                 0.1615                 0.7102
  Dep-U Fr= 1--      0.4832                 0.2782                 0.8305
 Alpha2 Fr= 1--      0.0045                 0.0073                 0.0002
 Beta2  Fr= 1--      0.0371                 0.0226                 0.0392
 AlphaG Fr= 1--     -0.0001                -0.0071                 0.0010
 Gamma2 Fr= 1--      0.0051                -0.0471                 0.2960
 Delta2 Fr= 1--      0.1505                 0.0357                 0.0055
 Raman1 Fr= 1--       1.845                  1.952                  1.132
 ROA1   Fr= 1--       5.302                 -3.374                 28.592
 CID1   Fr= 1--       2.874                 -1.729                 25.265
 Raman2 Fr= 1--       0.446                  0.271                  0.470
 ROA2   Fr= 1--      -1.082                 -1.415                  7.061
 CID2   Fr= 1--      -2.429                 -5.211                 15.025
 Raman3 Fr= 1--       0.891                  0.543                  0.940
 ROA3   Fr= 1--       5.302                 -3.374                 28.592
 CID3   Fr= 1--       5.949                 -6.214                 30.420
 RC180  Fr= 1--      -0.034                 -0.444                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.01    -0.04  -0.01   0.01    -0.04   0.01   0.00
     2   6    -0.01  -0.01   0.01    -0.02  -0.00   0.00    -0.01   0.01  -0.00
     3   6     0.01  -0.01  -0.03    -0.02  -0.01  -0.00     0.01   0.01   0.00
     4   6     0.01  -0.01  -0.03    -0.01  -0.03  -0.02     0.03  -0.03  -0.02
     5   6    -0.02   0.01  -0.01     0.00   0.01  -0.00    -0.02   0.01  -0.00
     6   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.01   0.00  -0.00
     7   1     0.08  -0.04  -0.07    -0.05  -0.01   0.02    -0.06   0.03   0.03
     8   1     0.11   0.00   0.03    -0.06  -0.03  -0.00    -0.07  -0.02  -0.01
     9   1    -0.03  -0.04   0.06    -0.02   0.00  -0.01    -0.01   0.00  -0.03
    10   1    -0.06   0.04   0.01    -0.01   0.00   0.02    -0.00   0.01   0.01
    11   6     0.00  -0.00  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.01
    12   1     0.02  -0.03  -0.04    -0.01  -0.00  -0.00     0.01   0.03   0.02
    13   1     0.03  -0.01  -0.05     0.00  -0.03  -0.05     0.07  -0.04  -0.06
    14   1     0.02  -0.04  -0.01    -0.02  -0.06  -0.01     0.02  -0.09  -0.00
    15   1    -0.05   0.03  -0.02    -0.03   0.03  -0.02    -0.05   0.03  -0.02
    16   8    -0.03   0.01   0.04     0.03   0.05   0.03    -0.04   0.01   0.11
    17   6     0.04   0.03  -0.01    -0.03  -0.02  -0.01     0.26  -0.01  -0.01
    18   6     0.00   0.01  -0.02    -0.01  -0.01  -0.01    -0.03   0.02  -0.12
    19   6     0.04  -0.02   0.05    -0.03  -0.01   0.02    -0.03  -0.00   0.02
    20   1     0.04  -0.00  -0.05    -0.31  -0.47  -0.06     0.32  -0.03  -0.21
    21   1     0.04   0.07   0.05    -0.30   0.43   0.04     0.32   0.01   0.18
    22   1     0.12   0.04  -0.02     0.48  -0.04   0.00     0.41  -0.01  -0.01
    23   1    -0.09   0.09  -0.31    -0.05   0.03  -0.16     0.01  -0.01  -0.03
    24   1    -0.04   0.21   0.23    -0.03   0.09   0.10     0.06  -0.03  -0.28
    25   1     0.14  -0.28   0.04     0.04  -0.15   0.01    -0.18   0.11  -0.16
    26   1    -0.07   0.08  -0.30     0.01  -0.04   0.13     0.04  -0.06   0.26
    27   1     0.47  -0.09   0.15    -0.14  -0.03  -0.01    -0.29  -0.02  -0.05
    28   1    -0.23  -0.09   0.39     0.05   0.03  -0.06     0.14   0.07  -0.17
    29   6    -0.03   0.01   0.02     0.04   0.03   0.01    -0.05   0.00   0.04
    30   6    -0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.06  -0.02  -0.02
    31   8    -0.03   0.00   0.00     0.08   0.02  -0.01    -0.06  -0.00   0.00
    32   1    -0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.03  -0.03  -0.03
    33   1    -0.04  -0.04  -0.03     0.03  -0.04  -0.02    -0.05  -0.04  -0.07
    34   1    -0.09  -0.01  -0.01    -0.02  -0.00  -0.01    -0.13  -0.00  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    238.8776               243.1688               269.2593
 Red. masses --      2.2718                 2.9298                 2.3808
 Frc consts  --      0.0764                 0.1021                 0.1017
 IR Inten    --      1.8389                 1.3385                 0.3496
 RamAct Fr= 1--      1.3660                 0.4011                 1.9919
  Dep-P Fr= 1--      0.2730                 0.7469                 0.1879
  Dep-U Fr= 1--      0.4289                 0.8551                 0.3163
 Alpha2 Fr= 1--      0.0152                 0.0000                 0.0279
 Beta2  Fr= 1--      0.0977                 0.0572                 0.1050
 AlphaG Fr= 1--     -0.0144                 0.0001                 0.0153
 Gamma2 Fr= 1--     -0.3049                 0.0158                -0.0369
 Delta2 Fr= 1--     -0.1721                 0.0584                -0.1196
 Raman1 Fr= 1--       5.464                  1.604                  7.968
 ROA1   Fr= 1--     -34.775                  3.388                 -7.369
 CID1   Fr= 1--      -6.365                  2.111                 -0.925
 Raman2 Fr= 1--       1.172                  0.686                  1.260
 ROA2   Fr= 1--      -5.940                 -0.088                  0.072
 CID2   Fr= 1--      -5.069                 -0.128                  0.057
 Raman3 Fr= 1--       2.344                  1.372                  2.520
 ROA3   Fr= 1--     -34.775                  3.388                 -7.369
 CID3   Fr= 1--     -14.838                  2.469                 -2.924
 RC180  Fr= 1--      -0.142                  0.710                 -0.367
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.03   0.03    -0.11   0.08  -0.04    -0.00  -0.01  -0.03
     2   6    -0.04  -0.02   0.02    -0.05   0.04  -0.05     0.12  -0.00  -0.06
     3   6    -0.03  -0.02   0.00     0.01   0.08  -0.01     0.00  -0.01  -0.03
     4   6    -0.01  -0.06  -0.04     0.07  -0.05  -0.01     0.01  -0.02  -0.05
     5   6     0.00  -0.00  -0.02     0.04  -0.04  -0.01    -0.01   0.01  -0.02
     6   6    -0.02  -0.02  -0.00     0.00   0.03  -0.02     0.02  -0.00  -0.04
     7   1    -0.11  -0.00   0.07    -0.16   0.15   0.02    -0.03  -0.01   0.07
     8   1    -0.13  -0.07   0.00    -0.18   0.03  -0.08    -0.08  -0.01  -0.09
     9   1    -0.05  -0.04  -0.01    -0.05   0.05  -0.12     0.18   0.12  -0.13
    10   1    -0.04  -0.01   0.05    -0.02   0.02  -0.04     0.23  -0.11  -0.05
    11   6    -0.02  -0.01   0.00    -0.01   0.02  -0.01     0.04  -0.02  -0.01
    12   1    -0.03  -0.01   0.00     0.05   0.15   0.01    -0.01  -0.01  -0.01
    13   1     0.02  -0.07  -0.09     0.18  -0.05  -0.03     0.02  -0.02  -0.07
    14   1    -0.03  -0.12  -0.02     0.02  -0.13  -0.02     0.01  -0.05  -0.03
    15   1    -0.04   0.03  -0.05     0.05  -0.03  -0.03    -0.01   0.03  -0.04
    16   8     0.05   0.06   0.01     0.04  -0.09   0.07    -0.04   0.01   0.03
    17   6    -0.04   0.04   0.01     0.00   0.17  -0.00    -0.09   0.13  -0.02
    18   6    -0.07   0.04  -0.13     0.06  -0.14   0.02     0.06  -0.03   0.04
    19   6     0.01  -0.06   0.14    -0.15  -0.01   0.03     0.14  -0.06   0.12
    20   1     0.15   0.38   0.11     0.01   0.23   0.08    -0.16   0.09   0.13
    21   1     0.14  -0.27  -0.04     0.01   0.20   0.07    -0.16   0.24  -0.03
    22   1    -0.44   0.07  -0.03    -0.02   0.25  -0.13    -0.06   0.19  -0.13
    23   1    -0.12   0.07  -0.24     0.12  -0.10  -0.09     0.10  -0.06   0.15
    24   1     0.02   0.15  -0.15    -0.05  -0.14   0.16     0.04  -0.11  -0.01
    25   1    -0.15  -0.05  -0.15     0.16  -0.29   0.06     0.06   0.06   0.03
    26   1     0.04  -0.08   0.24    -0.21   0.08  -0.01     0.25  -0.18   0.39
    27   1    -0.01  -0.19   0.14    -0.11  -0.05   0.04    -0.08  -0.16   0.06
    28   1     0.05   0.03   0.20    -0.23  -0.09   0.07     0.33   0.13   0.02
    29   6     0.07   0.04  -0.00     0.02  -0.07   0.03    -0.06   0.01   0.02
    30   6     0.04  -0.00  -0.01     0.12   0.04  -0.02    -0.10  -0.03  -0.00
    31   8     0.13   0.03  -0.01    -0.05  -0.06   0.01    -0.08   0.01   0.01
    32   1     0.03  -0.00  -0.01     0.25   0.03  -0.03    -0.12  -0.03  -0.00
    33   1     0.06  -0.03  -0.02     0.05   0.16  -0.07    -0.07  -0.09  -0.01
    34   1     0.01   0.00  -0.01     0.17   0.04  -0.03    -0.16  -0.02  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    332.2799               349.7798               364.8409
 Red. masses --      2.1932                 2.8499                 2.3566
 Frc consts  --      0.1427                 0.2054                 0.1848
 IR Inten    --      1.6606                 0.9421                 0.6162
 RamAct Fr= 1--      0.7342                 1.0121                 0.1975
  Dep-P Fr= 1--      0.2004                 0.3087                 0.6590
  Dep-U Fr= 1--      0.3339                 0.4718                 0.7944
 Alpha2 Fr= 1--      0.0100                 0.0101                 0.0003
 Beta2  Fr= 1--      0.0409                 0.0796                 0.0262
 AlphaG Fr= 1--      0.0244                -0.0045                 0.0011
 Gamma2 Fr= 1--     -0.2116                 0.6582                -0.0514
 Delta2 Fr= 1--     -0.0171                 0.3152                -0.1051
 Raman1 Fr= 1--       2.937                  4.048                  0.790
 ROA1   Fr= 1--     -20.864                 73.268                 -8.294
 CID1   Fr= 1--      -7.104                 18.099                -10.498
 Raman2 Fr= 1--       0.490                  0.955                  0.314
 ROA2   Fr= 1--      -4.943                 13.274                 -0.392
 CID2   Fr= 1--     -10.083                 13.901                 -1.248
 Raman3 Fr= 1--       0.980                  1.910                  0.628
 ROA3   Fr= 1--     -20.864                 73.268                 -8.294
 CID3   Fr= 1--     -21.279                 38.363                -13.215
 RC180  Fr= 1--      -0.332                 -0.056                  0.589
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.09     0.05  -0.03  -0.03    -0.09   0.04  -0.02
     2   6     0.17   0.07   0.03     0.16   0.00  -0.06     0.03  -0.06  -0.08
     3   6     0.00   0.00   0.03    -0.08  -0.04  -0.01     0.00   0.01   0.06
     4   6     0.02  -0.04  -0.02    -0.11   0.05   0.01    -0.01   0.03   0.13
     5   6     0.03   0.04   0.00    -0.03   0.02  -0.00    -0.01  -0.05   0.08
     6   6     0.03   0.07   0.04    -0.02  -0.00  -0.02     0.00  -0.10   0.03
     7   1    -0.14   0.01   0.30     0.08  -0.13   0.02    -0.16   0.12   0.07
     8   1    -0.24  -0.09  -0.03     0.03   0.06  -0.08    -0.21   0.01  -0.12
     9   1     0.26   0.27  -0.08     0.25   0.18  -0.10     0.08   0.03  -0.21
    10   1     0.36  -0.09   0.10     0.29  -0.14  -0.08     0.13  -0.18  -0.11
    11   6     0.02   0.04   0.02    -0.07  -0.03  -0.01     0.00  -0.06   0.03
    12   1     0.00  -0.01   0.02    -0.10  -0.08  -0.02     0.01   0.09   0.11
    13   1     0.05  -0.05  -0.10    -0.21   0.06   0.08    -0.04   0.03   0.18
    14   1     0.00  -0.12   0.01    -0.09   0.17  -0.05     0.01   0.10   0.11
    15   1     0.11   0.05  -0.04    -0.02   0.02  -0.00    -0.02  -0.11   0.16
    16   8    -0.02  -0.04  -0.08    -0.01  -0.03   0.09     0.02   0.01  -0.05
    17   6    -0.03  -0.08   0.02     0.03   0.05  -0.02     0.03   0.09   0.08
    18   6     0.02   0.01  -0.11    -0.15   0.12   0.03    -0.03  -0.02  -0.07
    19   6    -0.04   0.05   0.00     0.01  -0.02  -0.01     0.07  -0.02  -0.12
    20   1    -0.05  -0.14  -0.01     0.02   0.03  -0.04     0.03   0.13   0.16
    21   1    -0.05  -0.13  -0.11     0.02   0.10   0.06     0.03   0.20   0.23
    22   1    -0.06  -0.16   0.16     0.11   0.08  -0.08     0.09   0.21  -0.12
    23   1     0.01   0.08  -0.36    -0.29   0.12   0.02    -0.08   0.03  -0.21
    24   1     0.03   0.16   0.01    -0.09   0.23   0.05     0.02   0.11  -0.02
    25   1     0.00  -0.25  -0.10    -0.12   0.16   0.04    -0.07  -0.15  -0.07
    26   1    -0.07   0.09  -0.05     0.01  -0.05  -0.04     0.06  -0.05  -0.32
    27   1     0.01   0.05   0.02     0.06  -0.02   0.01     0.19   0.17  -0.10
    28   1    -0.09  -0.00   0.03    -0.01   0.01   0.04     0.03  -0.09  -0.13
    29   6    -0.03  -0.03  -0.03     0.02  -0.08   0.05     0.01   0.04  -0.03
    30   6    -0.01   0.00   0.01     0.14   0.04  -0.02    -0.05  -0.02   0.01
    31   8    -0.07  -0.03   0.02     0.02  -0.09   0.00     0.02   0.04  -0.00
    32   1    -0.02   0.02   0.02     0.33   0.01  -0.03    -0.14  -0.00   0.02
    33   1    -0.02   0.03   0.04     0.03   0.23  -0.08     0.00  -0.10   0.05
    34   1     0.05  -0.01   0.02     0.23   0.06  -0.04    -0.07  -0.03   0.02
                     16                     17                     18
                      A                      A                      A
 Frequencies --    404.1479               432.5107               475.9392
 Red. masses --      2.5491                 2.0021                 2.6144
 Frc consts  --      0.2453                 0.2207                 0.3489
 IR Inten    --      0.3012                 0.1368                 1.1013
 RamAct Fr= 1--      0.4564                 0.1809                 1.0090
  Dep-P Fr= 1--      0.6616                 0.4211                 0.7438
  Dep-U Fr= 1--      0.7964                 0.5926                 0.8531
 Alpha2 Fr= 1--      0.0007                 0.0012                 0.0001
 Beta2  Fr= 1--      0.0606                 0.0179                 0.1435
 AlphaG Fr= 1--     -0.0012                 0.0015                -0.0019
 Gamma2 Fr= 1--      0.2086                -0.1232                -0.4670
 Delta2 Fr= 1--      0.3215                -0.1196                -0.6153
 Raman1 Fr= 1--       1.826                  0.724                  4.036
 ROA1   Fr= 1--      30.311                -15.657                -64.519
 CID1   Fr= 1--      16.602                -21.635                -15.986
 Raman2 Fr= 1--       0.727                  0.214                  1.722
 ROA2   Fr= 1--       2.434                 -2.001                 -6.284
 CID2   Fr= 1--       3.348                 -9.332                 -3.650
 Raman3 Fr= 1--       1.454                  0.429                  3.443
 ROA3   Fr= 1--      30.311                -15.657                -64.519
 CID3   Fr= 1--      20.847                -36.506                -18.739
 RC180  Fr= 1--       0.593                  0.185                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01   0.03    -0.11  -0.09   0.05     0.00   0.01  -0.01
     2   6    -0.07   0.04   0.04    -0.03  -0.04   0.03    -0.00   0.07   0.02
     3   6    -0.08   0.01   0.01     0.08  -0.05  -0.07     0.08   0.01  -0.07
     4   6    -0.10   0.08  -0.02     0.01   0.14   0.06     0.11  -0.05   0.08
     5   6    -0.03   0.05  -0.01     0.02   0.03   0.03    -0.05   0.06   0.09
     6   6    -0.01   0.05   0.01     0.01   0.01  -0.05    -0.11   0.06   0.02
     7   1    -0.03  -0.02  -0.01    -0.25   0.09   0.24    -0.06   0.08   0.07
     8   1    -0.02   0.02   0.06    -0.28  -0.32  -0.03    -0.06  -0.12  -0.02
     9   1    -0.09  -0.01   0.05    -0.04  -0.04  -0.01     0.03   0.14   0.05
    10   1    -0.09   0.09   0.08    -0.01  -0.00   0.14     0.04   0.01   0.00
    11   6    -0.01   0.01   0.01     0.04   0.00  -0.09    -0.10  -0.01  -0.09
    12   1    -0.13  -0.01   0.05     0.12  -0.08  -0.13     0.21   0.03  -0.16
    13   1    -0.18   0.08   0.03    -0.27   0.17   0.26     0.24  -0.07  -0.12
    14   1    -0.10   0.16  -0.06     0.16   0.46   0.01     0.17  -0.26   0.25
    15   1    -0.01   0.06  -0.03     0.00  -0.02   0.10     0.01   0.01   0.13
    16   8    -0.04   0.01   0.06    -0.00   0.00   0.02    -0.07   0.02  -0.09
    17   6    -0.01  -0.02  -0.00     0.01  -0.00  -0.07     0.03  -0.00   0.01
    18   6     0.07  -0.16  -0.09     0.05   0.04   0.01    -0.10  -0.07   0.05
    19   6     0.19   0.03  -0.05    -0.02  -0.04   0.01     0.06  -0.06   0.00
    20   1    -0.00  -0.04  -0.05     0.02  -0.00  -0.10     0.09  -0.01  -0.19
    21   1    -0.00  -0.06  -0.04     0.02  -0.02  -0.07     0.10  -0.04   0.13
    22   1    -0.01  -0.07   0.07     0.01  -0.02  -0.04     0.13  -0.04   0.07
    23   1     0.28  -0.15  -0.16    -0.02   0.03   0.06    -0.08  -0.10   0.15
    24   1     0.02  -0.27  -0.13     0.01   0.05   0.08    -0.22  -0.15   0.12
    25   1    -0.04  -0.30  -0.11     0.17   0.08   0.04     0.05  -0.00   0.09
    26   1     0.28  -0.14  -0.13    -0.07   0.05   0.08     0.17  -0.22   0.05
    27   1     0.26   0.14  -0.03    -0.02  -0.18   0.01     0.10  -0.13   0.01
    28   1     0.27   0.15  -0.04    -0.07  -0.04   0.08     0.16   0.16   0.08
    29   6    -0.01  -0.05   0.04    -0.00  -0.01   0.01    -0.04  -0.03  -0.07
    30   6     0.07   0.03  -0.01     0.00  -0.00  -0.00     0.01   0.05   0.00
    31   8     0.03  -0.05  -0.00    -0.01  -0.01  -0.00     0.07  -0.03   0.02
    32   1     0.20   0.01  -0.02     0.02  -0.01  -0.00     0.02   0.10   0.03
    33   1    -0.01   0.16  -0.05    -0.00   0.01  -0.01    -0.06   0.18   0.06
    34   1     0.12   0.05  -0.03    -0.00   0.01  -0.01     0.19  -0.00   0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    515.3474               527.4292               583.7146
 Red. masses --      3.1022                 3.0514                 4.0219
 Frc consts  --      0.4854                 0.5001                 0.8074
 IR Inten    --      2.7768                 2.1562                 1.2722
 RamAct Fr= 1--      1.6231                 1.7998                 1.9562
  Dep-P Fr= 1--      0.6893                 0.1441                 0.4724
  Dep-U Fr= 1--      0.8161                 0.2519                 0.6417
 Alpha2 Fr= 1--      0.0017                 0.0282                 0.0109
 Beta2  Fr= 1--      0.2208                 0.0756                 0.2092
 AlphaG Fr= 1--     -0.0011                 0.0145                 0.0110
 Gamma2 Fr= 1--      0.0630                -0.0751                 0.0380
 Delta2 Fr= 1--      0.1274                -0.0943                -0.0563
 Raman1 Fr= 1--       6.493                  7.199                  7.825
 ROA1   Fr= 1--      10.128                -10.231                  1.848
 CID1   Fr= 1--       1.560                 -1.421                  0.236
 Raman2 Fr= 1--       2.649                  0.907                  2.510
 ROA2   Fr= 1--       0.494                 -1.049                  1.362
 CID2   Fr= 1--       0.186                 -1.157                  0.543
 Raman3 Fr= 1--       5.298                  1.813                  5.021
 ROA3   Fr= 1--      10.128                -10.231                  1.848
 CID3   Fr= 1--       1.912                 -5.642                  0.368
 RC180  Fr= 1--       0.632                 -0.496                  0.283
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08  -0.04     0.02  -0.02   0.03     0.06   0.08   0.21
     2   6     0.02  -0.09  -0.05     0.03   0.04   0.03     0.05  -0.15   0.10
     3   6    -0.01  -0.05  -0.03    -0.04  -0.00  -0.03     0.08   0.14   0.08
     4   6    -0.05  -0.06   0.05    -0.02  -0.01   0.05     0.11   0.10  -0.10
     5   6    -0.11  -0.08   0.04     0.06  -0.12  -0.01    -0.05  -0.10  -0.13
     6   6    -0.10  -0.07   0.00    -0.07   0.04  -0.04    -0.05  -0.12  -0.07
     7   1     0.06  -0.13  -0.11     0.04  -0.08   0.03    -0.04   0.25   0.28
     8   1     0.07  -0.00  -0.02     0.04  -0.01   0.05    -0.08  -0.02   0.12
     9   1     0.13   0.12  -0.07     0.11   0.19   0.05     0.12  -0.01   0.07
    10   1     0.17  -0.28  -0.11     0.14  -0.07   0.03     0.12  -0.27   0.03
    11   6     0.02   0.14  -0.02    -0.13   0.09  -0.05    -0.03   0.00   0.04
    12   1     0.03  -0.08  -0.09     0.06  -0.05  -0.14     0.02  -0.01   0.03
    13   1    -0.10  -0.05   0.11    -0.07   0.01   0.22     0.30   0.10  -0.02
    14   1     0.03   0.01   0.08    -0.03   0.16  -0.06    -0.03   0.01  -0.16
    15   1    -0.17  -0.10   0.08     0.09  -0.13  -0.00    -0.19  -0.13  -0.05
    16   8    -0.06   0.01  -0.02     0.15  -0.08   0.02    -0.06  -0.01  -0.01
    17   6     0.01   0.01   0.02     0.01   0.01  -0.08    -0.02  -0.00  -0.13
    18   6     0.15   0.02  -0.03    -0.11  -0.08   0.01    -0.08  -0.04   0.02
    19   6    -0.04   0.21   0.09     0.02   0.11   0.03    -0.00   0.03  -0.00
    20   1     0.08   0.06  -0.05     0.06   0.02  -0.20    -0.02   0.01  -0.08
    21   1     0.07   0.02   0.21     0.06  -0.04  -0.01    -0.02   0.02  -0.09
    22   1     0.08   0.06  -0.07     0.05  -0.02  -0.03    -0.02   0.04  -0.20
    23   1     0.39   0.02  -0.05     0.07  -0.09   0.02    -0.05  -0.04   0.01
    24   1     0.03  -0.14  -0.02    -0.24  -0.23   0.04    -0.11  -0.05   0.06
    25   1     0.15  -0.08  -0.03    -0.06  -0.14   0.03    -0.04  -0.07   0.03
    26   1    -0.08   0.30   0.17     0.12  -0.05   0.02     0.01  -0.01  -0.10
    27   1    -0.08   0.08   0.08     0.12   0.07   0.05    -0.00   0.20  -0.01
    28   1    -0.08   0.18   0.12     0.08   0.30   0.13     0.02  -0.02  -0.09
    29   6    -0.04  -0.01  -0.03     0.10   0.08   0.02    -0.05   0.01   0.09
    30   6    -0.01   0.05  -0.00     0.01  -0.08   0.01    -0.06   0.07  -0.00
    31   8     0.10  -0.01   0.00    -0.08   0.09  -0.02     0.10  -0.02  -0.04
    32   1     0.03   0.07   0.01    -0.16  -0.10  -0.01     0.13  -0.02  -0.06
    33   1    -0.07   0.16   0.01     0.17  -0.36  -0.00    -0.13   0.17  -0.11
    34   1     0.09   0.03   0.01    -0.23  -0.05   0.00    -0.13   0.16  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --    594.1335               620.7999               643.4786
 Red. masses --      3.2791                 2.8896                 4.2901
 Frc consts  --      0.6820                 0.6561                 1.0466
 IR Inten    --      1.0149                 3.8869                 3.4528
 RamAct Fr= 1--      3.4078                 0.7676                16.4231
  Dep-P Fr= 1--      0.3721                 0.0886                 0.0247
  Dep-U Fr= 1--      0.5424                 0.1627                 0.0481
 Alpha2 Fr= 1--      0.0278                 0.0138                 0.3445
 Beta2  Fr= 1--      0.3081                 0.0208                 0.1317
 AlphaG Fr= 1--      0.0105                -0.0202                -0.0961
 Gamma2 Fr= 1--      0.4297                -0.2064                -0.8653
 Delta2 Fr= 1--      0.5242                -0.0909                -0.2360
 Raman1 Fr= 1--      13.631                  3.071                 65.692
 ROA1   Fr= 1--      58.029                -22.728                -90.626
 CID1   Fr= 1--       4.257                 -7.402                 -1.380
 Raman2 Fr= 1--       3.697                  0.250                  1.581
 ROA2   Fr= 1--       6.121                 -4.227                -18.880
 CID2   Fr= 1--       1.656                -16.921                -11.943
 Raman3 Fr= 1--       7.394                  0.500                  3.162
 ROA3   Fr= 1--      58.029                -22.728                -90.626
 CID3   Fr= 1--       7.848                -45.491                -28.664
 RC180  Fr= 1--       0.085                 -0.675                 -0.904
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.03    -0.01  -0.04  -0.04    -0.00   0.06   0.03
     2   6    -0.00   0.05   0.01    -0.01   0.03  -0.03     0.02   0.17   0.06
     3   6     0.02   0.04  -0.13    -0.01  -0.05   0.03    -0.10   0.01   0.02
     4   6    -0.02   0.04  -0.12    -0.00  -0.05   0.10    -0.08  -0.09   0.09
     5   6    -0.03  -0.09  -0.08     0.02   0.04   0.06     0.03  -0.16   0.02
     6   6    -0.07  -0.01   0.12     0.03   0.04  -0.02    -0.00   0.08  -0.02
     7   1    -0.04   0.11   0.04     0.01  -0.09  -0.07     0.08  -0.10   0.01
     8   1    -0.05  -0.05  -0.04     0.02   0.00  -0.02     0.07   0.14   0.08
     9   1     0.07   0.18  -0.04    -0.05  -0.05  -0.00     0.03   0.18   0.08
    10   1     0.09  -0.12  -0.11    -0.05   0.11   0.03     0.04   0.18   0.09
    11   6     0.00   0.00  -0.10     0.00  -0.00   0.03     0.04  -0.02  -0.05
    12   1    -0.01   0.01  -0.12     0.05   0.01   0.03    -0.09   0.08   0.06
    13   1    -0.07   0.06   0.09    -0.00  -0.06  -0.02    -0.08  -0.08   0.28
    14   1     0.00   0.21  -0.20     0.05  -0.12   0.18    -0.13   0.06  -0.04
    15   1     0.00  -0.03  -0.17     0.11   0.00   0.08     0.13  -0.15  -0.03
    16   8     0.02  -0.04  -0.02    -0.02  -0.01  -0.14     0.01  -0.16   0.05
    17   6    -0.00  -0.05   0.29     0.00   0.02  -0.07     0.00   0.03  -0.11
    18   6     0.03   0.02  -0.00     0.00  -0.00   0.00     0.10   0.05  -0.02
    19   6     0.00  -0.07  -0.03    -0.00   0.01   0.01     0.00  -0.15  -0.06
    20   1     0.03  -0.05   0.18    -0.01   0.01  -0.04     0.03   0.00  -0.22
    21   1     0.04  -0.09   0.35    -0.01   0.02  -0.10     0.03  -0.03  -0.13
    22   1     0.04  -0.09   0.34    -0.01   0.02  -0.06     0.03  -0.03  -0.01
    23   1     0.00  -0.00   0.09     0.00   0.01  -0.03    -0.00   0.05   0.00
    24   1    -0.06  -0.02   0.08     0.04   0.02  -0.04     0.14   0.11  -0.02
    25   1     0.19   0.08   0.04    -0.06  -0.01  -0.02     0.12   0.12  -0.02
    26   1     0.01  -0.06   0.04    -0.00   0.02   0.00    -0.02  -0.10  -0.02
    27   1     0.02  -0.20  -0.02    -0.00   0.02   0.01     0.01  -0.23  -0.06
    28   1    -0.01  -0.00   0.05    -0.01   0.00   0.01    -0.03  -0.16  -0.02
    29   6     0.01   0.03   0.13    -0.01   0.02   0.29    -0.06   0.03  -0.04
    30   6    -0.01   0.01   0.01    -0.02   0.03   0.03    -0.17   0.15  -0.01
    31   8     0.02   0.01  -0.05     0.01  -0.02  -0.11     0.17   0.01   0.01
    32   1     0.14  -0.13  -0.08     0.40  -0.30  -0.16    -0.23   0.19   0.01
    33   1     0.01  -0.04  -0.13    -0.04   0.02  -0.30    -0.19   0.18   0.03
    34   1    -0.23   0.14  -0.08    -0.44   0.32  -0.19    -0.12   0.10   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    663.2653               750.7562               800.3926
 Red. masses --      3.1828                 2.5498                 2.2414
 Frc consts  --      0.8250                 0.8468                 0.8460
 IR Inten    --      2.6282                 2.4463                 2.0604
 RamAct Fr= 1--      4.8094                 4.6505                 2.8974
  Dep-P Fr= 1--      0.1593                 0.4077                 0.2954
  Dep-U Fr= 1--      0.2749                 0.5792                 0.4561
 Alpha2 Fr= 1--      0.0726                 0.0335                 0.0301
 Beta2  Fr= 1--      0.2203                 0.4490                 0.2202
 AlphaG Fr= 1--      0.0437                -0.0066                -0.0182
 Gamma2 Fr= 1--      0.9318                -1.4187                 0.7943
 Delta2 Fr= 1--      0.3359                -0.4486                -0.0530
 Raman1 Fr= 1--      19.238                 18.602                 11.589
 ROA1   Fr= 1--     100.199               -150.547                 74.558
 CID1   Fr= 1--       5.208                 -8.093                  6.433
 Raman2 Fr= 1--       2.644                  5.387                  2.643
 ROA2   Fr= 1--      19.675                -30.459                 19.488
 CID2   Fr= 1--       7.441                 -5.654                  7.374
 Raman3 Fr= 1--       5.288                 10.775                  5.285
 ROA3   Fr= 1--     100.199               -150.547                 74.558
 CID3   Fr= 1--      18.948                -13.972                 14.106
 RC180  Fr= 1--      -0.450                  0.158                 -0.088
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.07   0.10     0.01   0.06   0.06     0.07   0.09   0.00
     2   6    -0.00  -0.01   0.07     0.08  -0.08   0.01     0.05   0.14   0.01
     3   6    -0.08   0.08   0.03    -0.09   0.06  -0.04     0.07  -0.03  -0.06
     4   6    -0.07  -0.02   0.05    -0.08  -0.02   0.05    -0.06  -0.12   0.03
     5   6    -0.11  -0.00   0.05     0.03   0.02   0.05    -0.10  -0.11  -0.03
     6   6    -0.11  -0.04  -0.03     0.19  -0.08  -0.01     0.04  -0.04   0.00
     7   1     0.07   0.01   0.03     0.01  -0.00   0.15    -0.08   0.18   0.38
     8   1     0.08   0.14   0.14    -0.08   0.12  -0.03    -0.22  -0.11  -0.19
     9   1     0.08   0.15   0.07    -0.12  -0.47  -0.01    -0.08  -0.13   0.22
    10   1     0.10  -0.14   0.02    -0.20   0.21   0.04    -0.22   0.34  -0.11
    11   6     0.03  -0.00  -0.09    -0.06   0.06  -0.18     0.03  -0.02   0.04
    12   1    -0.12   0.04   0.03    -0.01  -0.01  -0.16     0.14  -0.02  -0.10
    13   1     0.17  -0.04  -0.13     0.08  -0.04  -0.08    -0.21  -0.09   0.28
    14   1    -0.12  -0.29   0.15    -0.13  -0.19   0.09     0.04   0.15  -0.04
    15   1    -0.20  -0.04   0.13     0.02   0.00   0.07    -0.21  -0.04  -0.09
    16   8     0.01   0.08  -0.04     0.01   0.00   0.00    -0.05   0.07  -0.01
    17   6    -0.01   0.01  -0.08     0.04  -0.02   0.05     0.01  -0.01  -0.03
    18   6     0.15   0.07  -0.03    -0.02   0.00  -0.04    -0.02  -0.03   0.01
    19   6     0.01  -0.13  -0.05    -0.01   0.04  -0.02     0.01   0.03   0.02
    20   1     0.07   0.04  -0.26    -0.05  -0.04   0.32    -0.02   0.01   0.09
    21   1     0.07  -0.02   0.10    -0.06   0.05  -0.10    -0.03   0.04  -0.06
    22   1     0.09   0.01  -0.10    -0.07   0.03  -0.03    -0.03   0.05  -0.12
    23   1     0.12   0.06   0.04     0.01  -0.03   0.09    -0.08  -0.02  -0.02
    24   1     0.09   0.05   0.03    -0.22  -0.13   0.09     0.06   0.03  -0.03
    25   1     0.28   0.13  -0.00     0.20   0.05   0.02    -0.10  -0.03  -0.01
    26   1    -0.03  -0.06   0.02     0.03   0.01   0.10    -0.02   0.07  -0.01
    27   1    -0.04  -0.23  -0.06     0.03  -0.20  -0.01    -0.02   0.12   0.02
    28   1    -0.02  -0.14  -0.03    -0.00   0.24   0.15    -0.00  -0.04  -0.04
    29   6     0.06   0.01   0.02    -0.02  -0.02   0.00    -0.01   0.01  -0.00
    30   6     0.14  -0.12   0.01    -0.03   0.02   0.00     0.06  -0.06   0.00
    31   8    -0.09   0.02  -0.01     0.00  -0.02   0.00    -0.01   0.02  -0.00
    32   1     0.15  -0.15  -0.01    -0.01   0.02  -0.00     0.11  -0.05   0.01
    33   1     0.19  -0.19  -0.02    -0.06   0.06  -0.01     0.04  -0.01  -0.00
    34   1     0.07  -0.08  -0.01    -0.02   0.03  -0.00     0.11  -0.05  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    835.4460               849.7820               897.2153
 Red. masses --      1.7711                 2.1290                 2.2565
 Frc consts  --      0.7283                 0.9058                 1.0702
 IR Inten    --      3.9228                 0.5607                 1.3251
 RamAct Fr= 1--      6.0524                 2.0973                 3.0613
  Dep-P Fr= 1--      0.0157                 0.0078                 0.2208
  Dep-U Fr= 1--      0.0310                 0.0156                 0.3617
 Alpha2 Fr= 1--      0.1296                 0.0458                 0.0393
 Beta2  Fr= 1--      0.0312                 0.0054                 0.1845
 AlphaG Fr= 1--     -0.1217                -0.0187                 0.0432
 Gamma2 Fr= 1--      0.1952                -0.0902                 0.8033
 Delta2 Fr= 1--      0.2590                 0.0202                 0.3524
 Raman1 Fr= 1--      24.210                  8.389                 12.245
 ROA1   Fr= 1--      27.026                 -8.017                 88.395
 CID1   Fr= 1--       1.116                 -0.956                  7.219
 Raman2 Fr= 1--       0.375                  0.065                  2.215
 ROA2   Fr= 1--       2.613                 -2.328                 16.460
 CID2   Fr= 1--       6.973                -35.643                  7.433
 Raman3 Fr= 1--       0.750                  0.131                  4.429
 ROA3   Fr= 1--      27.026                 -8.017                 88.395
 CID3   Fr= 1--      36.058                -61.379                 19.958
 RC180  Fr= 1--      -0.938                 -0.969                 -0.277
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.06   0.05     0.07   0.07   0.02     0.02   0.09   0.15
     2   6    -0.05  -0.01  -0.00     0.01  -0.09  -0.08    -0.09   0.10  -0.08
     3   6     0.06  -0.03   0.07     0.09  -0.09   0.16     0.06  -0.10  -0.06
     4   6     0.02  -0.11   0.04    -0.07  -0.05  -0.01    -0.07   0.02  -0.07
     5   6     0.05  -0.02  -0.07     0.05   0.07  -0.02    -0.01   0.06   0.09
     6   6     0.05   0.00   0.01    -0.09   0.06   0.02     0.01  -0.08  -0.00
     7   1     0.08   0.03  -0.34    -0.10   0.31   0.24     0.04   0.18  -0.03
     8   1     0.24   0.22   0.26    -0.23   0.08  -0.26     0.14  -0.01   0.29
     9   1     0.05   0.20  -0.29    -0.05  -0.21   0.11    -0.04   0.21  -0.33
    10   1     0.20  -0.21   0.09    -0.20  -0.01  -0.28     0.08  -0.07  -0.08
    11   6    -0.01   0.03  -0.04    -0.03   0.01  -0.03     0.02  -0.01   0.02
    12   1     0.21   0.04  -0.01     0.11  -0.16   0.09     0.05  -0.35  -0.22
    13   1    -0.25  -0.08   0.29    -0.25  -0.05  -0.10    -0.20   0.00  -0.34
    14   1     0.03   0.23  -0.14    -0.16  -0.01  -0.10     0.03  -0.11   0.09
    15   1    -0.02   0.08  -0.17     0.17   0.12  -0.13     0.03  -0.01   0.17
    16   8    -0.02   0.11  -0.01     0.01  -0.03   0.01     0.04  -0.06  -0.00
    17   6     0.02   0.00  -0.01    -0.04   0.03  -0.01     0.01  -0.05  -0.02
    18   6    -0.03   0.00  -0.01     0.03   0.02  -0.02    -0.01  -0.01   0.01
    19   6     0.00  -0.02  -0.03    -0.01  -0.01  -0.02     0.01   0.01   0.02
    20   1    -0.04  -0.03   0.09     0.04   0.01  -0.28     0.02   0.07   0.17
    21   1    -0.03   0.01  -0.14     0.07  -0.07   0.12    -0.02   0.08   0.12
    22   1    -0.05  -0.02   0.04     0.09  -0.05   0.12    -0.01   0.12  -0.30
    23   1     0.00  -0.02   0.04     0.07   0.00   0.04    -0.03  -0.01  -0.01
    24   1    -0.11  -0.05   0.05    -0.07  -0.04   0.05     0.03   0.01  -0.01
    25   1     0.07   0.02   0.02     0.15   0.02   0.01    -0.05  -0.02  -0.00
    26   1     0.01  -0.03   0.03     0.02  -0.05   0.03    -0.02   0.06   0.01
    27   1     0.03  -0.13  -0.02     0.04  -0.13  -0.01    -0.03   0.04   0.01
    28   1    -0.00   0.06   0.06    -0.00   0.09   0.07    -0.01  -0.05  -0.02
    29   6    -0.02  -0.02   0.00     0.01  -0.00  -0.00     0.02  -0.01   0.00
    30   6    -0.00  -0.02   0.00    -0.01   0.02  -0.00    -0.02   0.04  -0.00
    31   8    -0.02  -0.03   0.01     0.00  -0.00   0.00     0.01  -0.01  -0.00
    32   1     0.09  -0.01   0.01    -0.05   0.02  -0.00    -0.10   0.03  -0.01
    33   1    -0.07   0.10  -0.01     0.01  -0.02   0.00     0.03  -0.05   0.00
    34   1     0.08  -0.01  -0.01    -0.05   0.02   0.00    -0.11   0.04   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --    922.8173               931.8169               952.4276
 Red. masses --      2.9725                 2.8888                 1.9633
 Frc consts  --      1.4914                 1.4778                 1.0493
 IR Inten    --      5.2079                 0.4467                 2.5927
 RamAct Fr= 1--      5.3333                 2.7625                 3.4760
  Dep-P Fr= 1--      0.0940                 0.6932                 0.5252
  Dep-U Fr= 1--      0.1718                 0.8188                 0.6887
 Alpha2 Fr= 1--      0.0948                 0.0027                 0.0152
 Beta2  Fr= 1--      0.1527                 0.3770                 0.3990
 AlphaG Fr= 1--      0.0313                -0.0001                -0.0018
 Gamma2 Fr= 1--     -0.5270                -2.4986                -1.3676
 Delta2 Fr= 1--     -0.7225                -0.5380                -1.2201
 Raman1 Fr= 1--      21.333                 11.050                 13.904
 ROA1   Fr= 1--     -73.709               -257.081               -170.330
 CID1   Fr= 1--      -3.455                -23.265                -12.250
 Raman2 Fr= 1--       1.832                  4.524                  4.788
 ROA2   Fr= 1--      -6.867                -55.663                -23.061
 CID2   Fr= 1--      -3.748                -12.304                 -4.816
 Raman3 Fr= 1--       3.664                  9.048                  9.576
 ROA3   Fr= 1--     -73.709               -257.081               -170.330
 CID3   Fr= 1--     -20.115                -28.413                -17.787
 RC180  Fr= 1--      -0.656                  0.638                  0.377
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.05  -0.01     0.01  -0.11   0.05     0.04  -0.02   0.05
     2   6    -0.00   0.12   0.01    -0.02   0.15  -0.12    -0.02  -0.03  -0.06
     3   6    -0.06   0.01   0.03    -0.01  -0.07   0.19    -0.02   0.02  -0.08
     4   6     0.04   0.00  -0.02     0.12   0.08  -0.02    -0.00  -0.00   0.05
     5   6     0.13  -0.01   0.00    -0.04  -0.04  -0.05     0.01  -0.00  -0.04
     6   6    -0.07  -0.10  -0.02     0.02  -0.03  -0.02     0.01   0.03  -0.01
     7   1     0.02  -0.18   0.20     0.03  -0.20   0.11     0.01  -0.00   0.11
     8   1    -0.08  -0.07  -0.09    -0.01  -0.02   0.00    -0.04  -0.10   0.00
     9   1    -0.00   0.09   0.25    -0.08   0.04  -0.05    -0.03  -0.06  -0.05
    10   1    -0.08   0.14  -0.08    -0.07   0.23  -0.09    -0.04  -0.04  -0.12
    11   6    -0.00   0.01  -0.01    -0.06   0.05  -0.02    -0.12   0.08   0.09
    12   1    -0.12   0.06   0.12    -0.16  -0.14   0.27     0.17  -0.12  -0.33
    13   1     0.04   0.01   0.07     0.17   0.08   0.01     0.11  -0.01   0.08
    14   1    -0.04   0.08  -0.14     0.04   0.03  -0.06    -0.00  -0.01   0.05
    15   1     0.01   0.01   0.02    -0.08  -0.09   0.03     0.02   0.01  -0.07
    16   8     0.13   0.17  -0.02    -0.08  -0.04   0.01     0.03   0.03   0.00
    17   6    -0.06  -0.07  -0.00     0.04  -0.05   0.02     0.03   0.01   0.02
    18   6     0.00   0.01  -0.02     0.02   0.05  -0.03     0.06   0.10   0.05
    19   6     0.00   0.00  -0.00    -0.03  -0.03  -0.05    -0.05  -0.12  -0.00
    20   1     0.09   0.15  -0.01    -0.03   0.02   0.37    -0.04  -0.04   0.10
    21   1     0.05   0.04   0.48    -0.07   0.11   0.00    -0.03   0.01  -0.13
    22   1     0.10   0.15  -0.38    -0.08   0.10  -0.22    -0.05  -0.02   0.08
    23   1     0.06  -0.00   0.02     0.21   0.03   0.04     0.47   0.15  -0.18
    24   1    -0.07  -0.06   0.02    -0.18  -0.13   0.06     0.08  -0.07  -0.13
    25   1     0.08  -0.01   0.01     0.18  -0.01   0.02    -0.24  -0.20  -0.02
    26   1    -0.01   0.03   0.01     0.06  -0.16   0.04     0.09  -0.39  -0.20
    27   1    -0.01  -0.01  -0.01     0.08  -0.23  -0.02     0.06   0.16   0.02
    28   1    -0.01  -0.02   0.00     0.00   0.19   0.13     0.08  -0.01  -0.08
    29   6     0.04  -0.09   0.01    -0.04   0.05  -0.00     0.01  -0.02   0.00
    30   6    -0.11   0.06  -0.00     0.06  -0.05   0.00    -0.02   0.01  -0.00
    31   8    -0.05  -0.13   0.02     0.02   0.07  -0.01    -0.01  -0.02   0.00
    32   1    -0.03   0.07   0.01     0.09  -0.05   0.00    -0.01   0.02   0.00
    33   1    -0.22   0.23  -0.01     0.07  -0.06   0.00    -0.04   0.04  -0.00
    34   1    -0.03   0.07  -0.02     0.09  -0.06   0.00    -0.01   0.01  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --    959.4235               963.7622               974.0698
 Red. masses --      1.6099                 1.6562                 1.7766
 Frc consts  --      0.8731                 0.9063                 0.9931
 IR Inten    --      0.2894                 0.6728                 5.8494
 RamAct Fr= 1--      5.3740                 1.5051                 4.8345
  Dep-P Fr= 1--      0.5298                 0.5362                 0.3040
  Dep-U Fr= 1--      0.6927                 0.6981                 0.4663
 Alpha2 Fr= 1--      0.0229                 0.0062                 0.0490
 Beta2  Fr= 1--      0.6204                 0.1751                 0.3757
 AlphaG Fr= 1--      0.0019                 0.0044                 0.0113
 Gamma2 Fr= 1--      0.9938                 0.4925                 2.2692
 Delta2 Fr= 1--      0.5824                 0.0635                 2.3235
 Raman1 Fr= 1--      21.496                  6.020                 19.338
 ROA1   Fr= 1--     114.043                 49.312                292.193
 CID1   Fr= 1--       5.305                  8.191                 15.110
 Raman2 Fr= 1--       7.445                  2.101                  4.509
 ROA2   Fr= 1--      19.192                 11.312                 35.873
 CID2   Fr= 1--       2.578                  5.383                  7.956
 Raman3 Fr= 1--      14.889                  4.203                  9.017
 ROA3   Fr= 1--     114.043                 49.312                292.193
 CID3   Fr= 1--       7.659                 11.734                 32.403
 RC180  Fr= 1--       0.385                  0.396                 -0.067
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.07    -0.02   0.02   0.10     0.07  -0.03   0.05
     2   6    -0.04   0.03   0.04     0.03  -0.02  -0.08    -0.07   0.02  -0.09
     3   6     0.07   0.01   0.03    -0.08  -0.01  -0.04    -0.03  -0.02   0.01
     4   6    -0.08   0.02   0.03     0.09  -0.02  -0.02    -0.02   0.06   0.05
     5   6    -0.02  -0.01  -0.04     0.03  -0.01   0.02    -0.00  -0.09  -0.02
     6   6     0.02  -0.01   0.00    -0.02   0.02  -0.01     0.02   0.06   0.00
     7   1    -0.07   0.16  -0.04     0.09  -0.19   0.05    -0.02   0.09   0.16
     8   1    -0.00  -0.21  -0.04     0.05   0.18   0.12    -0.03  -0.21   0.02
     9   1     0.05   0.21   0.03    -0.06  -0.19  -0.13    -0.02   0.12  -0.15
    10   1     0.11  -0.10   0.08    -0.10   0.10  -0.11     0.01  -0.12  -0.19
    11   6    -0.06  -0.06  -0.01    -0.02  -0.06  -0.01     0.06  -0.01  -0.02
    12   1     0.11   0.07   0.04    -0.12  -0.13  -0.09    -0.18  -0.19   0.02
    13   1     0.06   0.00  -0.12     0.01   0.00   0.17     0.31   0.03   0.01
    14   1    -0.20  -0.16   0.03     0.19   0.17  -0.03    -0.14  -0.18   0.07
    15   1    -0.03  -0.02  -0.02     0.06   0.02  -0.02    -0.11  -0.12   0.05
    16   8     0.03   0.01   0.01    -0.02   0.01  -0.01     0.04   0.07  -0.00
    17   6     0.04  -0.01  -0.01    -0.04   0.02   0.02     0.02   0.07   0.02
    18   6     0.08  -0.02  -0.04     0.07  -0.05  -0.02    -0.02  -0.05   0.03
    19   6    -0.08   0.04   0.03    -0.05   0.04   0.05     0.03   0.04  -0.04
    20   1    -0.04  -0.02   0.19     0.04   0.02  -0.20    -0.04  -0.09  -0.09
    21   1    -0.05   0.05  -0.14     0.06  -0.06   0.14     0.00  -0.06  -0.25
    22   1    -0.08   0.02  -0.06     0.08  -0.03   0.10    -0.03  -0.12   0.33
    23   1    -0.26  -0.04   0.09    -0.35  -0.05   0.06    -0.19  -0.02  -0.05
    24   1     0.15   0.18   0.06     0.24   0.22   0.01     0.15   0.10  -0.06
    25   1     0.24   0.23  -0.01     0.12   0.22  -0.02    -0.18  -0.02  -0.02
    26   1     0.14  -0.34  -0.12     0.09  -0.23  -0.13    -0.03   0.18   0.17
    27   1     0.14   0.21   0.08     0.08   0.29   0.07    -0.01  -0.28  -0.04
    28   1     0.10   0.35   0.07     0.09   0.19  -0.02    -0.06   0.06   0.11
    29   6     0.01  -0.01  -0.00    -0.01   0.01   0.00     0.00  -0.02   0.00
    30   6    -0.01   0.02  -0.00     0.00  -0.02   0.00    -0.03  -0.01   0.00
    31   8    -0.01  -0.02   0.00     0.00   0.01  -0.00    -0.02  -0.03   0.00
    32   1    -0.04   0.02  -0.00     0.06  -0.02   0.01     0.06   0.01   0.01
    33   1    -0.00   0.00   0.00    -0.03   0.04  -0.00    -0.11   0.12  -0.01
    34   1    -0.03   0.01   0.00     0.06  -0.02  -0.01     0.06  -0.00  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --    998.5676              1008.0222              1023.8808
 Red. masses --      1.9984                 1.9673                 1.4903
 Frc consts  --      1.1740                 1.1778                 0.9205
 IR Inten    --      4.3657                 1.2269                17.0670
 RamAct Fr= 1--      3.0508                 4.6668                 1.5937
  Dep-P Fr= 1--      0.6855                 0.0581                 0.7499
  Dep-U Fr= 1--      0.8134                 0.1099                 0.8571
 Alpha2 Fr= 1--      0.0035                 0.0904                 0.0000
 Beta2  Fr= 1--      0.4136                 0.0854                 0.2276
 AlphaG Fr= 1--     -0.0052                -0.0564                -0.0004
 Gamma2 Fr= 1--     -1.0198                 0.0804                 0.3253
 Delta2 Fr= 1--     -1.1319                 0.3866                 0.4681
 Raman1 Fr= 1--      12.203                 18.667                  6.375
 ROA1   Fr= 1--    -134.124                 20.091                 46.208
 CID1   Fr= 1--     -10.991                  1.076                  7.249
 Raman2 Fr= 1--       4.963                  1.025                  2.732
 ROA2   Fr= 1--     -15.421                 -1.163                  4.063
 CID2   Fr= 1--      -3.107                 -1.134                  1.487
 Raman3 Fr= 1--       9.926                  2.051                  5.464
 ROA3   Fr= 1--    -134.124                 20.091                 46.208
 CID3   Fr= 1--     -13.512                  9.797                  8.458
 RC180  Fr= 1--       0.627                 -0.780                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.12   0.08     0.02   0.01  -0.03    -0.00   0.00  -0.02
     2   6    -0.02   0.03  -0.10    -0.01  -0.02   0.03    -0.00   0.01  -0.01
     3   6     0.04   0.13  -0.00     0.01   0.02  -0.03     0.01  -0.03   0.01
     4   6    -0.09  -0.02   0.08    -0.05   0.01  -0.05    -0.01   0.01  -0.06
     5   6     0.04   0.03  -0.06     0.14  -0.04   0.09    -0.02  -0.05   0.08
     6   6    -0.00   0.01  -0.03     0.01  -0.00   0.01     0.01   0.02   0.02
     7   1     0.05  -0.15   0.09    -0.04   0.11  -0.02    -0.01   0.01  -0.01
     8   1     0.10  -0.30   0.19    -0.01  -0.10  -0.02    -0.01   0.04  -0.04
     9   1    -0.06  -0.05  -0.18     0.02   0.05   0.01    -0.01   0.00  -0.01
    10   1    -0.01   0.07  -0.03     0.06  -0.08   0.05    -0.01  -0.00  -0.04
    11   6     0.03  -0.00  -0.01    -0.00   0.02   0.01    -0.00   0.01   0.01
    12   1     0.23   0.25  -0.07     0.03  -0.00  -0.06    -0.12  -0.11   0.06
    13   1     0.07  -0.03   0.05    -0.02   0.01  -0.12    -0.07   0.01  -0.09
    14   1    -0.27  -0.11  -0.03    -0.21  -0.06  -0.15     0.06   0.02  -0.01
    15   1     0.13   0.11  -0.20     0.23  -0.04   0.07    -0.08  -0.12   0.18
    16   8    -0.04  -0.02   0.02    -0.04  -0.00   0.01     0.06   0.02  -0.01
    17   6    -0.03  -0.02   0.03    -0.03  -0.03  -0.02     0.03   0.06  -0.01
    18   6    -0.03  -0.01  -0.04     0.00   0.00   0.03    -0.03   0.03  -0.08
    19   6     0.05  -0.01   0.06    -0.03  -0.00  -0.02     0.01  -0.03   0.07
    20   1     0.03   0.04  -0.05     0.05   0.07  -0.05    -0.06  -0.10  -0.04
    21   1     0.03  -0.02   0.20     0.03   0.01   0.17    -0.02  -0.03  -0.30
    22   1     0.05   0.02  -0.02     0.05   0.05  -0.15    -0.05  -0.08   0.23
    23   1    -0.07  -0.05   0.11     0.03   0.03  -0.07     0.09  -0.04   0.16
    24   1    -0.17  -0.06   0.09     0.10   0.03  -0.06    -0.35  -0.16   0.16
    25   1     0.20   0.07   0.02    -0.16  -0.05  -0.01     0.36   0.06   0.03
    26   1    -0.08   0.16  -0.09     0.04  -0.10   0.00    -0.03  -0.02  -0.17
    27   1    -0.11   0.25   0.01     0.04  -0.07  -0.00    -0.07   0.34   0.05
    28   1    -0.00  -0.32  -0.19     0.00   0.11   0.06     0.04  -0.25  -0.19
    29   6    -0.01   0.01  -0.00    -0.09   0.05  -0.00    -0.01  -0.00   0.00
    30   6     0.02  -0.01   0.00    -0.02  -0.14   0.02    -0.04  -0.04   0.00
    31   8     0.01   0.02  -0.00     0.02   0.09  -0.01    -0.01   0.00  -0.00
    32   1     0.02  -0.02  -0.00     0.44  -0.11   0.05     0.14  -0.01   0.02
    33   1     0.02  -0.02  -0.00    -0.29   0.34  -0.03    -0.16   0.18  -0.01
    34   1     0.02  -0.01   0.00     0.40  -0.08  -0.07     0.13  -0.01  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1049.0645              1057.8776              1068.4219
 Red. masses --      2.4918                 2.0512                 1.8246
 Frc consts  --      1.6157                 1.3525                 1.2271
 IR Inten    --     28.4579                61.1047                 7.4996
 RamAct Fr= 1--      0.7316                 1.5535                 0.0410
  Dep-P Fr= 1--      0.6553                 0.7364                 0.7457
  Dep-U Fr= 1--      0.7917                 0.8482                 0.8544
 Alpha2 Fr= 1--      0.0012                 0.0004                 0.0000
 Beta2  Fr= 1--      0.0965                 0.2196                 0.0058
 AlphaG Fr= 1--     -0.0111                -0.0019                 0.0006
 Gamma2 Fr= 1--      0.8767                 1.1974                -0.1026
 Delta2 Fr= 1--      0.0374                 0.0992                 0.0058
 Raman1 Fr= 1--       2.926                  6.214                  0.164
 ROA1   Fr= 1--      85.361                118.122                 -9.665
 CID1   Fr= 1--      29.169                 19.009                -58.900
 Raman2 Fr= 1--       1.158                  2.635                  0.070
 ROA2   Fr= 1--      20.741                 27.943                 -2.509
 CID2   Fr= 1--      17.904                 10.603                -35.790
 Raman3 Fr= 1--       2.317                  5.271                  0.140
 ROA3   Fr= 1--      85.361                118.122                 -9.665
 CID3   Fr= 1--      36.841                 22.411                -68.940
 RC180  Fr= 1--       0.583                  0.696                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07   0.02     0.08   0.04  -0.02     0.01   0.00  -0.00
     2   6    -0.00  -0.01  -0.05    -0.09  -0.03   0.04    -0.01  -0.00   0.00
     3   6     0.06   0.11   0.01    -0.11  -0.02  -0.06    -0.01   0.00  -0.01
     4   6    -0.03  -0.05  -0.15     0.04  -0.03   0.03    -0.00  -0.01  -0.00
     5   6     0.03  -0.08   0.20     0.15   0.02   0.02     0.02  -0.00   0.01
     6   6     0.03   0.01   0.04    -0.01  -0.00   0.03     0.00   0.00   0.01
     7   1     0.03  -0.11   0.07    -0.03   0.12   0.22    -0.00   0.01   0.03
     8   1     0.05  -0.23   0.09    -0.13  -0.11  -0.16    -0.01  -0.03  -0.01
     9   1    -0.03  -0.06  -0.10     0.06   0.27   0.12     0.00   0.02   0.01
    10   1    -0.01   0.00  -0.05     0.05  -0.34  -0.22     0.01  -0.04  -0.02
    11   6     0.02   0.05   0.02     0.01  -0.02   0.00     0.00   0.00   0.00
    12   1    -0.03   0.29   0.20    -0.32  -0.17  -0.00    -0.03  -0.00   0.01
    13   1    -0.21  -0.02   0.01     0.12  -0.02   0.18    -0.00  -0.00   0.01
    14   1    -0.11   0.15  -0.33     0.05   0.05  -0.01     0.00   0.01  -0.00
    15   1    -0.07  -0.07   0.23     0.21   0.08  -0.08     0.04  -0.00   0.00
    16   8    -0.08   0.05  -0.02    -0.12   0.01   0.01    -0.02   0.00  -0.03
    17   6     0.00   0.04  -0.03     0.05  -0.02  -0.03     0.00  -0.00  -0.00
    18   6    -0.02  -0.01   0.02    -0.01   0.01  -0.04    -0.00   0.00  -0.00
    19   6    -0.05  -0.03  -0.04     0.01   0.00   0.03    -0.00  -0.00   0.00
    20   1     0.00  -0.01  -0.12    -0.04  -0.02   0.21    -0.00  -0.00   0.02
    21   1     0.02  -0.02  -0.10    -0.06   0.08  -0.15    -0.00   0.01  -0.01
    22   1     0.02  -0.03   0.07    -0.09   0.04  -0.11    -0.01   0.01  -0.02
    23   1    -0.00   0.01  -0.02     0.01  -0.02   0.08     0.00  -0.00   0.01
    24   1     0.01   0.00  -0.01    -0.14  -0.05   0.07    -0.01  -0.01   0.01
    25   1    -0.08  -0.03   0.00     0.17   0.03   0.01     0.01   0.00   0.00
    26   1     0.08  -0.22  -0.02    -0.03   0.06  -0.03     0.00  -0.01  -0.00
    27   1     0.10  -0.09  -0.00    -0.04   0.10   0.01     0.00   0.01   0.00
    28   1     0.03   0.20   0.08    -0.00  -0.10  -0.06     0.00   0.00  -0.00
    29   6     0.03  -0.01  -0.01    -0.00   0.01  -0.03     0.01   0.02   0.20
    30   6     0.05   0.07   0.00     0.06   0.03   0.02     0.00  -0.01  -0.17
    31   8    -0.01  -0.05   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.04
    32   1    -0.20  -0.00  -0.05    -0.06  -0.06  -0.04    -0.42   0.45   0.13
    33   1     0.24  -0.25  -0.01     0.17  -0.18  -0.03     0.03   0.01   0.36
    34   1    -0.25   0.07   0.03    -0.16   0.06   0.01     0.41  -0.43   0.18
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1071.2153              1107.5730              1138.9593
 Red. masses --      1.9177                 1.2571                 1.6063
 Frc consts  --      1.2965                 0.9086                 1.2277
 IR Inten    --     64.0902                 4.5976                19.2466
 RamAct Fr= 1--      4.7928                 5.4003                 2.6151
  Dep-P Fr= 1--      0.6927                 0.7455                 0.7101
  Dep-U Fr= 1--      0.8185                 0.8542                 0.8305
 Alpha2 Fr= 1--      0.0048                 0.0004                 0.0018
 Beta2  Fr= 1--      0.6538                 0.7688                 0.3620
 AlphaG Fr= 1--      0.0075                 0.0019                -0.0056
 Gamma2 Fr= 1--      0.9992                -1.5252                 0.1399
 Delta2 Fr= 1--     -0.0148                -0.6315                 0.5555
 Raman1 Fr= 1--      19.171                 21.601                 10.461
 ROA1   Fr= 1--      95.453               -166.624                 31.206
 CID1   Fr= 1--       4.979                 -7.714                  2.983
 Raman2 Fr= 1--       7.846                  9.226                  4.344
 ROA2   Fr= 1--      24.100                -31.552                 -1.086
 CID2   Fr= 1--       3.072                 -3.420                 -0.250
 Raman3 Fr= 1--      15.691                 18.452                  8.687
 ROA3   Fr= 1--      95.453               -166.624                 31.206
 CID3   Fr= 1--       6.083                 -9.030                  3.592
 RC180  Fr= 1--       0.637                  0.708                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02   0.04    -0.03  -0.01   0.02     0.01  -0.05  -0.01
     2   6    -0.04  -0.04  -0.03    -0.01   0.00  -0.00     0.01  -0.05  -0.03
     3   6    -0.02   0.08  -0.02     0.00   0.01   0.03     0.00   0.03   0.04
     4   6     0.02  -0.08  -0.02     0.01   0.01  -0.00     0.00  -0.02  -0.04
     5   6    -0.10   0.12   0.02     0.05  -0.01   0.00    -0.07  -0.00   0.08
     6   6    -0.04   0.00   0.05    -0.06  -0.00  -0.06    -0.02   0.11   0.00
     7   1     0.06  -0.16   0.23     0.08  -0.29   0.09    -0.08   0.26  -0.18
     8   1    -0.02  -0.15   0.02    -0.07   0.33  -0.12    -0.05   0.13  -0.12
     9   1     0.02   0.08   0.08     0.06   0.12   0.31     0.03  -0.01   0.08
    10   1    -0.04  -0.18  -0.25    -0.07  -0.07  -0.22     0.05   0.08   0.25
    11   6     0.01  -0.00   0.02    -0.00   0.04  -0.03    -0.01   0.08  -0.03
    12   1    -0.10   0.37   0.23     0.36   0.09  -0.21    -0.06  -0.37  -0.17
    13   1    -0.21  -0.05   0.13    -0.22   0.01  -0.24     0.25  -0.00   0.31
    14   1     0.26   0.19   0.04    -0.09  -0.02  -0.07    -0.16   0.07  -0.22
    15   1     0.06   0.17  -0.10    -0.07  -0.13   0.20     0.04   0.11  -0.11
    16   8     0.10  -0.06  -0.01    -0.02   0.00   0.00     0.03   0.01  -0.02
    17   6     0.06  -0.01  -0.03     0.06   0.00   0.03     0.03  -0.07  -0.01
    18   6     0.00  -0.02  -0.00     0.01  -0.05   0.02     0.01  -0.05   0.01
    19   6     0.00   0.00  -0.04     0.02  -0.01   0.01     0.03  -0.03   0.02
    20   1    -0.05  -0.03   0.23    -0.06  -0.07   0.22     0.02   0.06   0.26
    21   1    -0.08   0.09  -0.21    -0.05   0.05  -0.16    -0.07   0.13   0.05
    22   1    -0.11   0.04  -0.12    -0.11  -0.02   0.07    -0.06   0.08  -0.24
    23   1    -0.07  -0.02   0.01    -0.18  -0.02  -0.03    -0.20  -0.04  -0.00
    24   1     0.03   0.03   0.01     0.16   0.11  -0.03     0.13   0.12   0.00
    25   1     0.01   0.02  -0.00    -0.08   0.06  -0.01    -0.03   0.10  -0.01
    26   1     0.02   0.01   0.08    -0.03   0.07  -0.02    -0.04   0.06  -0.05
    27   1     0.04  -0.16  -0.03    -0.05   0.02  -0.01    -0.06   0.03  -0.01
    28   1    -0.02   0.10   0.09    -0.01  -0.13  -0.06     0.01  -0.18  -0.09
    29   6    -0.01  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    30   6    -0.05  -0.04   0.01     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   8     0.00   0.03  -0.00     0.00   0.00  -0.00    -0.00  -0.01  -0.00
    32   1     0.14  -0.01   0.03    -0.00   0.00  -0.00    -0.01   0.00  -0.00
    33   1    -0.18   0.18  -0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
    34   1     0.13  -0.01  -0.03     0.00  -0.00   0.00    -0.01   0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1163.4795              1173.0882              1191.4361
 Red. masses --      2.2287                 2.1033                 1.8827
 Frc consts  --      1.7776                 1.7054                 1.5746
 IR Inten    --     10.3483                 2.2773                11.9063
 RamAct Fr= 1--      1.5200                 1.9675                 2.1136
  Dep-P Fr= 1--      0.5747                 0.7359                 0.4519
  Dep-U Fr= 1--      0.7300                 0.8479                 0.6225
 Alpha2 Fr= 1--      0.0050                 0.0005                 0.0129
 Beta2  Fr= 1--      0.1849                 0.2780                 0.2193
 AlphaG Fr= 1--     -0.0139                -0.0010                -0.0230
 Gamma2 Fr= 1--      1.4056                 0.4250                -1.0550
 Delta2 Fr= 1--      0.6245                 0.3106                -0.1620
 Raman1 Fr= 1--       6.080                  7.870                  8.454
 ROA1   Fr= 1--     154.918                 50.736               -106.467
 CID1   Fr= 1--      25.479                  6.447                -12.593
 Raman2 Fr= 1--       2.219                  3.336                  2.632
 ROA2   Fr= 1--      28.737                  7.715                -24.024
 CID2   Fr= 1--      12.950                  2.312                 -9.129
 Raman3 Fr= 1--       4.438                  6.673                  5.263
 ROA3   Fr= 1--     154.918                 50.736               -106.467
 CID3   Fr= 1--      34.905                  7.604                -20.229
 RC180  Fr= 1--       0.460                  0.696                  0.245
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.02     0.09  -0.01  -0.01     0.01  -0.03  -0.04
     2   6     0.04  -0.04  -0.02    -0.08  -0.02   0.00    -0.07   0.04   0.04
     3   6     0.07  -0.01  -0.07    -0.04   0.02   0.04    -0.03   0.01   0.04
     4   6    -0.08   0.07   0.02    -0.01  -0.05   0.01     0.02   0.02  -0.02
     5   6     0.01  -0.10  -0.05    -0.02   0.02  -0.04    -0.07   0.05   0.01
     6   6    -0.01   0.08   0.12     0.11   0.02  -0.14     0.13  -0.09   0.14
     7   1     0.05  -0.20  -0.08    -0.02   0.12   0.15     0.05  -0.26   0.16
     8   1     0.01   0.29  -0.00    -0.11   0.03  -0.20    -0.12   0.21  -0.24
     9   1     0.03  -0.07   0.17     0.05   0.22   0.03    -0.02   0.14  -0.07
    10   1    -0.09  -0.03  -0.23     0.13  -0.09   0.23     0.03  -0.20  -0.20
    11   6     0.12   0.10   0.09     0.09   0.14  -0.02     0.02   0.04   0.01
    12   1    -0.08  -0.03   0.03    -0.15  -0.01   0.11     0.35  -0.16  -0.38
    13   1     0.06   0.04  -0.18    -0.26  -0.05  -0.08     0.18   0.03   0.13
    14   1     0.24  -0.15   0.42     0.36   0.05   0.29    -0.15   0.03  -0.18
    15   1     0.18  -0.01  -0.22    -0.20  -0.12   0.19    -0.05   0.13  -0.11
    16   8    -0.01   0.04   0.01    -0.00  -0.02   0.01     0.02  -0.03  -0.01
    17   6    -0.00  -0.04  -0.06    -0.06  -0.02   0.06    -0.06   0.04  -0.05
    18   6    -0.05  -0.03  -0.04    -0.04  -0.04   0.01    -0.01  -0.02  -0.02
    19   6    -0.04  -0.04  -0.04    -0.04  -0.06   0.02    -0.00  -0.02  -0.01
    20   1     0.04   0.08   0.04     0.05   0.07  -0.08     0.05   0.04  -0.34
    21   1    -0.04   0.08   0.04     0.07  -0.07   0.31     0.07  -0.11   0.02
    22   1    -0.00   0.09  -0.27     0.12  -0.03   0.08     0.14   0.00  -0.01
    23   1    -0.14  -0.07   0.13    -0.13  -0.03   0.00    -0.08  -0.03   0.04
    24   1    -0.16  -0.02   0.12    -0.01   0.02   0.01    -0.03   0.01   0.03
    25   1     0.11   0.05   0.01    -0.08   0.01  -0.00     0.03   0.04  -0.00
    26   1     0.07  -0.20   0.01     0.04  -0.22  -0.14     0.00  -0.02  -0.00
    27   1     0.11  -0.10  -0.00     0.06   0.11   0.03     0.01  -0.02  -0.01
    28   1     0.01   0.12   0.05     0.08   0.02  -0.09     0.02   0.02  -0.00
    29   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.04  -0.00   0.00
    30   6     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01   0.00  -0.00
    31   8    -0.01  -0.01   0.00     0.00   0.00  -0.00     0.01   0.01  -0.00
    32   1    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.01  -0.01  -0.01
    33   1     0.00   0.00  -0.00    -0.01   0.01  -0.00     0.03  -0.04   0.01
    34   1    -0.01   0.01  -0.00     0.01  -0.00  -0.00    -0.00  -0.01   0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1225.4023              1235.4490              1254.9673
 Red. masses --      1.9666                 1.6986                 1.8172
 Frc consts  --      1.7399                 1.5276                 1.6862
 IR Inten    --      2.6165                 0.6364                 5.7603
 RamAct Fr= 1--      5.5070                 1.3041                 6.0450
  Dep-P Fr= 1--      0.7484                 0.7417                 0.6362
  Dep-U Fr= 1--      0.8561                 0.8517                 0.7776
 Alpha2 Fr= 1--      0.0001                 0.0002                 0.0125
 Beta2  Fr= 1--      0.7858                 0.1851                 0.7835
 AlphaG Fr= 1--      0.0006                 0.0003                 0.0193
 Gamma2 Fr= 1--     -0.6097                -0.1062                 2.7424
 Delta2 Fr= 1--     -0.2710                 0.1531                 0.8861
 Raman1 Fr= 1--      22.028                  5.217                 24.180
 ROA1   Fr= 1--     -67.208                 -5.299                291.621
 CID1   Fr= 1--      -3.051                 -1.016                 12.060
 Raman2 Fr= 1--       9.429                  2.221                  9.402
 ROA2   Fr= 1--     -12.466                 -3.774                 58.728
 CID2   Fr= 1--      -1.322                 -1.699                  6.247
 Raman3 Fr= 1--      18.858                  4.443                 18.803
 ROA3   Fr= 1--     -67.208                 -5.299                291.621
 CID3   Fr= 1--      -3.564                 -1.193                 15.509
 RC180  Fr= 1--       0.712                  0.703                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.01    -0.07  -0.01   0.03    -0.04   0.01  -0.04
     2   6     0.01  -0.02  -0.04     0.01   0.02  -0.02     0.08   0.04   0.03
     3   6    -0.04   0.05  -0.03     0.06   0.00  -0.03    -0.03  -0.01   0.03
     4   6    -0.00  -0.04  -0.01    -0.03  -0.02   0.03     0.02  -0.01   0.02
     5   6     0.02   0.04   0.00    -0.01   0.07   0.02     0.03   0.04  -0.03
     6   6    -0.01  -0.01  -0.09    -0.01  -0.06  -0.06    -0.02  -0.11   0.02
     7   1    -0.02   0.09  -0.08    -0.02   0.03  -0.17    -0.10   0.25  -0.23
     8   1     0.02  -0.04   0.04     0.05   0.14   0.09     0.19  -0.51   0.33
     9   1     0.07   0.08   0.27     0.10   0.16   0.47     0.01  -0.12   0.11
    10   1     0.04   0.12   0.23    -0.08   0.00  -0.22    -0.12  -0.01  -0.37
    11   6     0.01  -0.04   0.22     0.14  -0.03  -0.06    -0.03   0.18   0.02
    12   1     0.17  -0.20  -0.37    -0.21  -0.17   0.09    -0.12  -0.14   0.01
    13   1     0.05  -0.02   0.11     0.24  -0.02   0.25    -0.06  -0.01  -0.02
    14   1    -0.02   0.05  -0.08    -0.27  -0.01  -0.19     0.03   0.03   0.01
    15   1    -0.12  -0.09   0.22    -0.06   0.11  -0.02     0.02   0.00   0.03
    16   8    -0.01  -0.01  -0.00     0.01  -0.03  -0.00     0.00  -0.01   0.00
    17   6    -0.01   0.02   0.03     0.01   0.03   0.02     0.00   0.03  -0.01
    18   6    -0.00   0.00  -0.09    -0.05   0.03   0.03     0.02  -0.07  -0.01
    19   6     0.00   0.02  -0.09    -0.07  -0.00   0.02     0.02  -0.04  -0.01
    20   1    -0.02  -0.02   0.00    -0.03  -0.05  -0.00    -0.03  -0.05  -0.07
    21   1     0.02  -0.03   0.04     0.02  -0.04  -0.05     0.03  -0.06  -0.09
    22   1     0.00  -0.04   0.13    -0.01  -0.04   0.12     0.01  -0.03   0.09
    23   1    -0.01  -0.07   0.20     0.10   0.03  -0.03    -0.24  -0.05   0.01
    24   1    -0.17   0.01   0.15    -0.10  -0.13  -0.05     0.10   0.13   0.06
    25   1     0.31   0.08   0.00    -0.13  -0.16   0.02    -0.03   0.15  -0.03
    26   1     0.05   0.01   0.22     0.04  -0.19  -0.07    -0.01  -0.02  -0.06
    27   1     0.07  -0.32  -0.06     0.13   0.14   0.06    -0.05  -0.07  -0.02
    28   1    -0.10   0.12   0.18     0.10   0.21  -0.02    -0.01  -0.13  -0.06
    29   6     0.02   0.00   0.00    -0.01   0.00   0.00    -0.03   0.00   0.00
    30   6    -0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00  -0.00
    31   8    -0.00   0.00  -0.00     0.00   0.01  -0.00     0.01   0.00  -0.00
    32   1     0.01   0.01   0.01     0.01   0.00   0.00     0.00  -0.01  -0.01
    33   1    -0.02   0.02  -0.00    -0.00   0.00   0.00     0.03  -0.03   0.00
    34   1     0.01   0.01  -0.01     0.01  -0.00  -0.00     0.00  -0.02   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1261.9467              1270.7586              1284.0382
 Red. masses --      1.6457                 3.7774                 1.6468
 Frc consts  --      1.5441                 3.5939                 1.5997
 IR Inten    --      2.8567               433.3801                 0.4647
 RamAct Fr= 1--      1.4918                 1.1089                 5.3884
  Dep-P Fr= 1--      0.7482                 0.3593                 0.7423
  Dep-U Fr= 1--      0.8560                 0.5287                 0.8521
 Alpha2 Fr= 1--      0.0000                 0.0094                 0.0007
 Beta2  Fr= 1--      0.2128                 0.0977                 0.7652
 AlphaG Fr= 1--      0.0006                -0.0162                 0.0017
 Gamma2 Fr= 1--     -0.7794                -0.3547                -2.5229
 Delta2 Fr= 1--     -0.5676                -0.2363                -1.0386
 Raman1 Fr= 1--       5.967                  4.435                 21.554
 ROA1   Fr= 1--     -92.981                -41.608               -275.436
 CID1   Fr= 1--     -15.582                 -9.381                -12.779
 Raman2 Fr= 1--       2.554                  1.173                  9.182
 ROA2   Fr= 1--     -14.164                 -6.621                -52.241
 CID2   Fr= 1--      -5.546                 -5.647                 -5.689
 Raman3 Fr= 1--       5.108                  2.345                 18.365
 ROA3   Fr= 1--     -92.981                -41.608               -275.436
 CID3   Fr= 1--     -18.204                -17.743                -14.998
 RC180  Fr= 1--       0.712                  0.057                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.07  -0.01    -0.00  -0.03  -0.01    -0.03  -0.04   0.04
     2   6     0.02  -0.04   0.04     0.01   0.02   0.02     0.00  -0.01  -0.03
     3   6    -0.04  -0.11  -0.04     0.00   0.03   0.02    -0.02   0.03   0.03
     4   6     0.05   0.01   0.04     0.01  -0.01   0.00    -0.01  -0.00  -0.05
     5   6    -0.03   0.03  -0.03     0.01   0.01  -0.00    -0.01  -0.03  -0.01
     6   6     0.02   0.13  -0.01     0.02  -0.01   0.05     0.13   0.09   0.02
     7   1     0.04  -0.07   0.08    -0.03   0.05  -0.06    -0.10   0.29  -0.26
     8   1     0.05  -0.21   0.12    -0.00  -0.00  -0.02     0.06  -0.07   0.13
     9   1    -0.02  -0.09  -0.16    -0.03  -0.05  -0.10     0.11   0.16   0.48
    10   1    -0.07  -0.12  -0.23    -0.04  -0.03  -0.13    -0.10  -0.16  -0.45
    11   6     0.06   0.03   0.03    -0.01   0.01  -0.02    -0.08  -0.09  -0.03
    12   1     0.13   0.28   0.08    -0.05  -0.13  -0.06     0.11   0.08  -0.04
    13   1     0.08   0.01   0.04    -0.02  -0.00   0.05    -0.01   0.00   0.04
    14   1    -0.42  -0.03  -0.35     0.01   0.01  -0.01     0.23   0.02   0.15
    15   1    -0.34  -0.17   0.33    -0.35   0.12  -0.03    -0.10  -0.11   0.13
    16   8     0.01  -0.01  -0.01    -0.17  -0.07   0.00     0.00   0.00   0.00
    17   6    -0.01  -0.06  -0.00    -0.00  -0.00  -0.01    -0.04  -0.03  -0.01
    18   6    -0.02  -0.00  -0.02     0.01  -0.01   0.01     0.01   0.03   0.00
    19   6    -0.02  -0.01   0.01     0.01  -0.01   0.00     0.03   0.02   0.01
    20   1     0.06   0.10   0.08     0.01   0.01  -0.05     0.07   0.12  -0.04
    21   1    -0.04   0.08   0.15    -0.01   0.00  -0.03     0.02  -0.02   0.15
    22   1     0.02   0.04  -0.15     0.01   0.02  -0.04     0.12   0.02  -0.09
    23   1    -0.02  -0.02   0.06    -0.02   0.00  -0.02     0.11   0.03  -0.04
    24   1    -0.08  -0.02   0.04     0.03   0.02  -0.01     0.03  -0.01  -0.05
    25   1     0.05  -0.00  -0.00    -0.04   0.01  -0.00     0.03  -0.02   0.01
    26   1     0.02  -0.07  -0.03    -0.01   0.02  -0.02    -0.04   0.13   0.02
    27   1     0.04   0.02   0.02    -0.01   0.01  -0.00    -0.07   0.04  -0.01
    28   1     0.03   0.03  -0.02     0.02  -0.00  -0.01    -0.02  -0.04   0.02
    29   6     0.00   0.00   0.00     0.43   0.01  -0.02    -0.01   0.00  -0.00
    30   6    -0.00  -0.00   0.00    -0.10  -0.04   0.01     0.00   0.00  -0.00
    31   8    -0.00  -0.00  -0.00    -0.05   0.02  -0.00     0.00  -0.00   0.00
    32   1     0.00   0.00   0.00     0.02   0.22   0.16     0.00  -0.01  -0.01
    33   1    -0.01   0.01   0.00    -0.41   0.47  -0.04     0.01  -0.02   0.00
    34   1     0.00   0.00  -0.00     0.01   0.21  -0.20    -0.00  -0.01   0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1308.0892              1313.3202              1336.6931
 Red. masses --      1.9067                 1.6191                 1.4825
 Frc consts  --      1.9223                 1.6454                 1.5606
 IR Inten    --      0.3603                 6.7086                 5.0582
 RamAct Fr= 1--      2.4130                 1.6207                 4.1361
  Dep-P Fr= 1--      0.6655                 0.7362                 0.7486
  Dep-U Fr= 1--      0.7991                 0.8481                 0.8562
 Alpha2 Fr= 1--      0.0036                 0.0004                 0.0001
 Beta2  Fr= 1--      0.3214                 0.2291                 0.5903
 AlphaG Fr= 1--     -0.0098                -0.0061                 0.0021
 Gamma2 Fr= 1--      0.5908                -0.1806                -0.5990
 Delta2 Fr= 1--      0.8290                -0.2581                -0.7296
 Raman1 Fr= 1--       9.652                  6.483                 16.545
 ROA1   Fr= 1--      83.246                -25.598                -80.856
 CID1   Fr= 1--       8.625                 -3.949                 -4.887
 Raman2 Fr= 1--       3.857                  2.749                  7.083
 ROA2   Fr= 1--       7.548                 -2.271                 -8.540
 CID2   Fr= 1--       1.957                 -0.826                 -1.206
 Raman3 Fr= 1--       7.713                  5.498                 14.166
 ROA3   Fr= 1--      83.246                -25.598                -80.856
 CID3   Fr= 1--      10.793                 -4.656                 -5.708
 RC180  Fr= 1--       0.598                  0.696                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00    -0.03   0.11  -0.03     0.03  -0.01   0.04
     2   6    -0.01   0.01   0.06    -0.03  -0.06  -0.07     0.00   0.01  -0.02
     3   6     0.14  -0.04  -0.04     0.02  -0.07   0.00    -0.09  -0.12   0.01
     4   6    -0.11  -0.02  -0.05     0.03   0.04   0.01    -0.04   0.03  -0.07
     5   6     0.04   0.04   0.01    -0.05  -0.05   0.07     0.00   0.00   0.03
     6   6     0.04  -0.00  -0.10     0.07  -0.00  -0.05    -0.03  -0.05  -0.01
     7   1     0.09  -0.30   0.12     0.11  -0.34   0.22    -0.08   0.32  -0.08
     8   1    -0.03   0.23  -0.08     0.09  -0.29   0.21    -0.00   0.06  -0.01
     9   1    -0.04  -0.02  -0.17     0.13   0.23   0.44     0.02   0.04   0.04
    10   1    -0.04  -0.14  -0.23     0.05   0.04   0.22    -0.00   0.09   0.10
    11   6    -0.13   0.04   0.05    -0.05   0.03   0.01     0.04   0.04  -0.01
    12   1    -0.20   0.05   0.30     0.01   0.06   0.10     0.45   0.56   0.03
    13   1     0.48  -0.01   0.40    -0.02   0.04  -0.08     0.38   0.04   0.22
    14   1     0.07   0.00   0.09    -0.11  -0.06  -0.05     0.17   0.03   0.11
    15   1    -0.05  -0.02   0.13     0.14   0.26  -0.40     0.19   0.04  -0.07
    16   8    -0.00  -0.01   0.00    -0.01   0.00  -0.00    -0.02   0.00   0.00
    17   6    -0.02   0.00   0.02    -0.02   0.01   0.01     0.01   0.02   0.00
    18   6     0.03  -0.02  -0.01     0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    19   6     0.04  -0.01  -0.01     0.02  -0.01   0.01    -0.01   0.00   0.01
    20   1    -0.02   0.00   0.04     0.00   0.03  -0.00    -0.03  -0.05   0.00
    21   1     0.04  -0.04   0.11     0.04  -0.05   0.06     0.01  -0.02  -0.06
    22   1     0.04  -0.04   0.09     0.08  -0.03   0.06    -0.03  -0.01   0.05
    23   1    -0.05  -0.01   0.00    -0.04  -0.01   0.00    -0.05  -0.01   0.02
    24   1     0.07   0.09   0.04     0.02   0.03   0.02    -0.02  -0.02   0.01
    25   1     0.02   0.10  -0.02     0.01   0.04  -0.01    -0.02  -0.01  -0.01
    26   1    -0.03   0.11   0.03    -0.02   0.04  -0.02     0.02  -0.07  -0.04
    27   1    -0.09  -0.06  -0.04    -0.05   0.01  -0.01     0.02  -0.01   0.02
    28   1    -0.05  -0.09   0.04    -0.01  -0.05  -0.01     0.01  -0.01  -0.04
    29   6     0.00  -0.00   0.00     0.04  -0.00  -0.00     0.03  -0.00  -0.00
    30   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00   0.01  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    32   1     0.00  -0.00  -0.00    -0.01   0.03   0.02    -0.01   0.03   0.02
    33   1    -0.00   0.00  -0.00    -0.03   0.04  -0.00    -0.03   0.03  -0.00
    34   1     0.00  -0.00   0.00    -0.01   0.03  -0.02    -0.01   0.02  -0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1342.0915              1363.1775              1397.1383
 Red. masses --      1.6697                 1.8310                 1.2701
 Frc consts  --      1.7719                 2.0047                 1.4607
 IR Inten    --      2.9502                 0.4529                48.8070
 RamAct Fr= 1--      2.8356                 1.0325                 1.6202
  Dep-P Fr= 1--      0.5295                 0.7490                 0.5463
  Dep-U Fr= 1--      0.6923                 0.8565                 0.7066
 Alpha2 Fr= 1--      0.0121                 0.0000                 0.0063
 Beta2  Fr= 1--      0.3272                 0.1474                 0.1908
 AlphaG Fr= 1--     -0.0052                -0.0019                -0.0259
 Gamma2 Fr= 1--      0.7281                 0.3695                -0.0392
 Delta2 Fr= 1--      0.5050                 0.5199                -0.0420
 Raman1 Fr= 1--      11.342                  4.130                  6.481
 ROA1   Fr= 1--      86.061                 52.106                 -5.109
 CID1   Fr= 1--       7.588                 12.616                 -0.788
 Raman2 Fr= 1--       3.926                  1.769                  2.290
 ROA2   Fr= 1--      13.436                  4.707                 -0.606
 CID2   Fr= 1--       3.422                  2.662                 -0.265
 Raman3 Fr= 1--       7.853                  3.537                  4.580
 ROA3   Fr= 1--      86.061                 52.106                 -5.109
 CID3   Fr= 1--      10.959                 14.730                 -1.116
 RC180  Fr= 1--       0.385                  0.713                  0.413
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.07  -0.08    -0.01   0.05  -0.01     0.00   0.00  -0.00
     2   6     0.02  -0.01   0.04    -0.02  -0.04  -0.11     0.00  -0.00  -0.01
     3   6    -0.02   0.03   0.12     0.03  -0.01  -0.01    -0.01  -0.01   0.00
     4   6    -0.06  -0.01  -0.07    -0.04  -0.03  -0.02    -0.01   0.01  -0.01
     5   6     0.00   0.00   0.01     0.05   0.07  -0.10     0.04  -0.01   0.02
     6   6    -0.04   0.05  -0.04    -0.01  -0.03   0.17    -0.01   0.00   0.01
     7   1     0.07  -0.33   0.21     0.06  -0.16   0.10    -0.00   0.00   0.01
     8   1     0.12  -0.39   0.20     0.02  -0.08   0.05     0.00  -0.02   0.01
     9   1    -0.03  -0.08  -0.14     0.06   0.08   0.29    -0.00  -0.02   0.01
    10   1    -0.04  -0.05  -0.11     0.11   0.18   0.47     0.01   0.02   0.04
    11   6     0.08  -0.05  -0.04    -0.02   0.02  -0.05     0.00   0.00  -0.00
    12   1     0.24  -0.30  -0.30    -0.06  -0.00   0.07     0.04   0.02  -0.01
    13   1     0.17   0.01   0.23     0.18  -0.03   0.17     0.03   0.01   0.01
    14   1     0.29   0.01   0.23     0.05   0.03   0.02     0.05  -0.00   0.06
    15   1     0.11  -0.07   0.07    -0.09  -0.36   0.52    -0.35   0.18  -0.11
    16   8    -0.00   0.01   0.00    -0.01  -0.00   0.01    -0.01  -0.02  -0.01
    17   6     0.02  -0.02   0.01    -0.00   0.01  -0.04     0.01   0.00  -0.00
    18   6    -0.03   0.01   0.02     0.02  -0.01   0.02    -0.01  -0.01   0.00
    19   6    -0.03   0.02   0.01     0.01  -0.01   0.02     0.00  -0.02  -0.00
    20   1     0.00  -0.00   0.08     0.01   0.00  -0.09    -0.00  -0.01   0.00
    21   1    -0.03   0.07   0.01    -0.02   0.01  -0.07    -0.01   0.01  -0.00
    22   1    -0.06   0.00  -0.02    -0.02   0.02  -0.06    -0.02  -0.00   0.00
    23   1     0.07   0.02  -0.02    -0.04   0.02  -0.06     0.05  -0.00  -0.01
    24   1     0.01  -0.04  -0.07     0.02  -0.01  -0.00     0.04   0.04  -0.02
    25   1     0.02  -0.08   0.03    -0.08   0.03  -0.01     0.05   0.02   0.02
    26   1     0.03  -0.07  -0.02    -0.02   0.03  -0.05    -0.05   0.07   0.01
    27   1     0.08   0.00   0.03    -0.06   0.05  -0.00    -0.01   0.08  -0.01
    28   1     0.03   0.02  -0.06     0.01  -0.03  -0.01     0.04   0.09   0.04
    29   6     0.01  -0.00  -0.00     0.00  -0.00  -0.00     0.04   0.01  -0.00
    30   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.11   0.09  -0.00
    31   8    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.01   0.00
    32   1    -0.01   0.00   0.00     0.01  -0.01  -0.00     0.40  -0.28  -0.20
    33   1    -0.01   0.01  -0.00     0.00  -0.01   0.01     0.19  -0.40   0.02
    34   1    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.42  -0.25   0.22
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1406.4222              1413.0039              1419.5499
 Red. masses --      1.2651                 1.2839                 1.2851
 Frc consts  --      1.4744                 1.5103                 1.5257
 IR Inten    --     10.2186                 6.0446                19.5896
 RamAct Fr= 1--      0.5365                 0.2042                 2.3525
  Dep-P Fr= 1--      0.6030                 0.1854                 0.7443
  Dep-U Fr= 1--      0.7524                 0.3129                 0.8534
 Alpha2 Fr= 1--      0.0015                 0.0029                 0.0002
 Beta2  Fr= 1--      0.0673                 0.0106                 0.3346
 AlphaG Fr= 1--      0.0046                 0.0011                 0.0067
 Gamma2 Fr= 1--      0.2203                -0.0242                -1.3279
 Delta2 Fr= 1--      0.0080                -0.0177                -0.7661
 Raman1 Fr= 1--       2.146                  0.817                  9.410
 ROA1   Fr= 1--      21.405                 -2.888               -151.994
 CID1   Fr= 1--       9.974                 -3.536                -16.152
 Raman2 Fr= 1--       0.807                  0.128                  4.015
 ROA2   Fr= 1--       5.224                 -0.439                -25.741
 CID2   Fr= 1--       6.470                 -3.436                 -6.411
 Raman3 Fr= 1--       1.615                  0.256                  8.030
 ROA3   Fr= 1--      21.405                 -2.888               -151.994
 CID3   Fr= 1--      13.256                -11.304                -18.927
 RC180  Fr= 1--       0.505                 -0.374                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.01     0.00   0.00  -0.00    -0.00   0.00   0.01
     3   6    -0.01  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.00  -0.01
     4   6    -0.01   0.01  -0.00     0.00   0.00   0.00     0.03  -0.01   0.01
     5   6     0.03  -0.00   0.01     0.01  -0.00  -0.00    -0.09   0.01  -0.03
     6   6    -0.02  -0.01   0.01    -0.00  -0.00   0.04     0.02  -0.01  -0.02
     7   1     0.01   0.00  -0.01    -0.01   0.01  -0.01     0.01  -0.00  -0.03
     8   1    -0.02  -0.03  -0.01    -0.00   0.01  -0.01    -0.03   0.02  -0.03
     9   1    -0.02  -0.05   0.02    -0.00  -0.00  -0.01     0.00   0.02  -0.01
    10   1     0.03   0.00   0.04    -0.00   0.02   0.01    -0.02  -0.02  -0.06
    11   6     0.02   0.02  -0.00     0.00  -0.01  -0.01     0.01   0.01   0.00
    12   1     0.03   0.03  -0.00     0.00  -0.00  -0.01    -0.04  -0.00   0.03
    13   1     0.02   0.01   0.01    -0.00   0.00  -0.03    -0.06  -0.01   0.04
    14   1     0.03  -0.02   0.04     0.01   0.02   0.00    -0.12  -0.04  -0.10
    15   1    -0.21   0.10  -0.05    -0.11   0.04  -0.02     0.68  -0.31   0.18
    16   8     0.01  -0.01  -0.00     0.00  -0.01  -0.00    -0.02   0.03   0.02
    17   6     0.01   0.01  -0.01    -0.00   0.02  -0.14    -0.01   0.01  -0.00
    18   6    -0.09  -0.04   0.01    -0.01  -0.00   0.00    -0.07  -0.03   0.01
    19   6     0.01  -0.08  -0.03    -0.01   0.03   0.02    -0.00   0.01  -0.00
    20   1    -0.04  -0.04   0.03    -0.20   0.03   0.52    -0.02  -0.01   0.03
    21   1     0.03  -0.00   0.03     0.22  -0.00   0.48     0.04  -0.05   0.03
    22   1    -0.03  -0.01   0.02     0.03  -0.30   0.43     0.04  -0.01   0.02
    23   1     0.34  -0.01  -0.09     0.04  -0.00  -0.01     0.25  -0.01  -0.08
    24   1     0.27   0.23  -0.17     0.05   0.02  -0.05     0.20   0.16  -0.15
    25   1     0.35   0.14   0.11     0.06  -0.01   0.02     0.27   0.10   0.09
    26   1    -0.17   0.26   0.13     0.06  -0.10  -0.06     0.04  -0.04   0.05
    27   1    -0.03   0.36  -0.03     0.05  -0.17   0.02     0.02   0.02   0.00
    28   1     0.07   0.29   0.22     0.01  -0.11  -0.14    -0.06  -0.06   0.01
    29   6    -0.03   0.00   0.00    -0.01   0.00   0.00     0.06  -0.01  -0.00
    30   6     0.04  -0.03   0.00     0.00  -0.00   0.00    -0.05   0.03  -0.00
    31   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00   0.00
    32   1    -0.14   0.09   0.06    -0.01   0.00   0.00     0.14  -0.07  -0.06
    33   1    -0.06   0.13  -0.01    -0.00   0.01  -0.00     0.05  -0.12   0.01
    34   1    -0.14   0.08  -0.07    -0.01   0.00  -0.00     0.14  -0.06   0.06
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1430.7571              1471.5742              1478.0995
 Red. masses --      1.2070                 1.0519                 1.0460
 Frc consts  --      1.4557                 1.3421                 1.3464
 IR Inten    --      6.2919                12.2609                 9.0625
 RamAct Fr= 1--      0.6532                 5.2158                 4.1864
  Dep-P Fr= 1--      0.3485                 0.6278                 0.7499
  Dep-U Fr= 1--      0.5169                 0.7714                 0.8571
 Alpha2 Fr= 1--      0.0058                 0.0116                 0.0000
 Beta2  Fr= 1--      0.0563                 0.6706                 0.5980
 AlphaG Fr= 1--      0.0143                 0.0021                -0.0000
 Gamma2 Fr= 1--     -0.1857                -0.0246                 0.0221
 Delta2 Fr= 1--     -0.2444                -0.0885                 0.1034
 Raman1 Fr= 1--       2.613                 20.863                 16.745
 ROA1   Fr= 1--     -25.646                 -5.197                  5.425
 CID1   Fr= 1--      -9.815                 -0.249                  0.324
 Raman2 Fr= 1--       0.675                  8.047                  7.176
 ROA2   Fr= 1--      -2.502                  0.117                 -0.298
 CID2   Fr= 1--      -3.705                  0.015                 -0.041
 Raman3 Fr= 1--       1.351                 16.094                 14.353
 ROA3   Fr= 1--     -25.646                 -5.197                  5.425
 CID3   Fr= 1--     -18.989                 -0.323                  0.378
 RC180  Fr= 1--       0.034                  0.543                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.01   0.01   0.01     0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6     0.01   0.00  -0.01    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.03  -0.00  -0.01     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   1    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.02  -0.01   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9   1     0.02   0.03  -0.06     0.00   0.00  -0.00    -0.00  -0.01   0.00
    10   1    -0.05   0.02  -0.04    -0.00   0.00  -0.00     0.01  -0.01  -0.00
    11   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   1     0.02  -0.02  -0.03    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.06   0.01   0.06     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    14   1    -0.02  -0.07   0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    15   1     0.26  -0.12   0.06    -0.01   0.00   0.00     0.00   0.00  -0.00
    16   8    -0.01   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   6     0.00   0.01  -0.04     0.00   0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.07   0.02  -0.01     0.00   0.00  -0.00     0.00   0.00  -0.00
    19   6     0.01  -0.09  -0.04     0.00   0.00   0.00     0.00  -0.00   0.00
    20   1    -0.06  -0.01   0.15    -0.00  -0.01  -0.00     0.01   0.01  -0.00
    21   1     0.06   0.02   0.18     0.00   0.00   0.01    -0.01   0.01   0.00
    22   1    -0.03  -0.10   0.14    -0.01   0.00  -0.00    -0.01  -0.01   0.01
    23   1    -0.27   0.01   0.07    -0.00  -0.00   0.00     0.00  -0.00   0.01
    24   1    -0.22  -0.18   0.15    -0.00   0.00   0.00     0.00   0.00   0.00
    25   1    -0.28  -0.10  -0.09    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1    -0.16   0.26   0.20    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    27   1    -0.05   0.45  -0.04    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    28   1     0.01   0.27   0.30     0.00   0.00  -0.00     0.00   0.00   0.00
    29   6     0.02  -0.00  -0.00    -0.02   0.01  -0.00     0.00  -0.00  -0.02
    30   6    -0.01   0.01  -0.00    -0.04  -0.03   0.00    -0.00  -0.00  -0.05
    31   8    -0.00  -0.00   0.00     0.00  -0.02   0.00    -0.00  -0.00   0.00
    32   1     0.03  -0.01  -0.01     0.22   0.49   0.32     0.49   0.10   0.04
    33   1     0.01  -0.03  -0.00     0.20  -0.41   0.01     0.03   0.04   0.72
    34   1     0.03  -0.01   0.01     0.22   0.44  -0.41    -0.46  -0.07   0.06
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1484.9441              1488.7361              1496.5086
 Red. masses --      1.0625                 1.0552                 1.0502
 Frc consts  --      1.3804                 1.3780                 1.3858
 IR Inten    --      0.1744                 2.6765                 3.5817
 RamAct Fr= 1--      9.8286                 1.0979                 5.5169
  Dep-P Fr= 1--      0.7498                 0.7341                 0.7499
  Dep-U Fr= 1--      0.8570                 0.8467                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0003                 0.0000
 Beta2  Fr= 1--      1.4039                 0.1549                 0.7880
 AlphaG Fr= 1--     -0.0008                -0.0004                -0.0005
 Gamma2 Fr= 1--      1.1838                 0.6007                -0.5388
 Delta2 Fr= 1--      0.5433                 0.2779                -0.5401
 Raman1 Fr= 1--      39.315                  4.391                 22.068
 ROA1   Fr= 1--     131.035                 66.560                -69.007
 CID1   Fr= 1--       3.333                 15.157                 -3.127
 Raman2 Fr= 1--      16.847                  1.859                  9.457
 ROA2   Fr= 1--      24.065                 12.194                 -8.610
 CID2   Fr= 1--       1.428                  6.559                 -0.910
 Raman3 Fr= 1--      33.694                  3.718                 18.913
 ROA3   Fr= 1--     131.035                 66.560                -69.007
 CID3   Fr= 1--       3.889                 17.901                 -3.649
 RC180  Fr= 1--       0.714                  0.693                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03    -0.00  -0.01  -0.01     0.00   0.00  -0.00
     2   6     0.00  -0.01   0.00    -0.01   0.03  -0.01     0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.02   0.02  -0.03     0.01   0.00  -0.01    -0.00  -0.00  -0.00
     5   6     0.01   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.01   0.00    -0.00  -0.01  -0.00    -0.03   0.01   0.00
     7   1     0.11  -0.08  -0.22    -0.05   0.04   0.10    -0.00  -0.00   0.02
     8   1    -0.20  -0.13  -0.13     0.08   0.07   0.05     0.01   0.00   0.00
     9   1     0.04   0.08  -0.04    -0.12  -0.22   0.12    -0.01  -0.03  -0.03
    10   1    -0.07   0.07  -0.00     0.20  -0.17   0.03     0.01   0.00   0.02
    11   6    -0.01  -0.00   0.00    -0.00  -0.01  -0.01     0.00  -0.00   0.00
    12   1     0.01   0.02   0.00     0.00   0.01   0.01     0.01  -0.00  -0.01
    13   1    -0.18   0.04   0.25    -0.04   0.01   0.05     0.00  -0.00   0.01
    14   1    -0.06  -0.29   0.10    -0.02  -0.07   0.02     0.00  -0.00   0.00
    15   1    -0.07   0.03  -0.01     0.07  -0.02   0.01     0.00  -0.01   0.02
    16   8     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    17   6    -0.00  -0.01  -0.00    -0.00  -0.02  -0.01    -0.04   0.02   0.01
    18   6     0.01  -0.02   0.02     0.00  -0.02  -0.03     0.01   0.00  -0.00
    19   6    -0.03   0.00  -0.02    -0.02  -0.01   0.01    -0.01  -0.01   0.01
    20   1     0.06   0.10   0.01     0.13   0.19  -0.01    -0.11   0.06   0.35
    21   1    -0.05   0.05  -0.05    -0.13   0.17  -0.04     0.19  -0.50  -0.30
    22   1     0.05  -0.03   0.04     0.03  -0.09   0.13     0.60   0.10  -0.17
    23   1     0.00   0.09  -0.35     0.31  -0.09   0.20    -0.03  -0.00   0.02
    24   1    -0.13  -0.14   0.06    -0.04   0.35   0.37    -0.01  -0.01   0.00
    25   1    -0.02   0.36  -0.02    -0.29   0.08  -0.10    -0.01  -0.03  -0.01
    26   1     0.03   0.00   0.33    -0.12   0.17  -0.01    -0.10   0.13  -0.04
    27   1     0.37   0.07   0.08     0.20  -0.09   0.06     0.08  -0.05   0.02
    28   1    -0.01  -0.15  -0.17     0.20   0.09  -0.21     0.14   0.10  -0.10
    29   6    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    32   1     0.00   0.01   0.00    -0.01   0.00  -0.00     0.01   0.01   0.00
    33   1     0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.01
    34   1    -0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1500.4883              1503.0821              1508.2507
 Red. masses --      1.0660                 1.0626                 1.0553
 Frc consts  --      1.4141                 1.4144                 1.4144
 IR Inten    --     10.6953                 7.6098                 1.1503
 RamAct Fr= 1--      1.7685                 1.0251                 2.9828
  Dep-P Fr= 1--      0.6487                 0.7308                 0.7116
  Dep-U Fr= 1--      0.7870                 0.8445                 0.8315
 Alpha2 Fr= 1--      0.0032                 0.0003                 0.0020
 Beta2  Fr= 1--      0.2320                 0.1443                 0.4134
 AlphaG Fr= 1--     -0.0146                 0.0039                -0.0051
 Gamma2 Fr= 1--     -0.5065                 0.9153                 0.6997
 Delta2 Fr= 1--      0.0326                 0.2232                 0.4462
 Raman1 Fr= 1--       7.074                  4.100                 11.931
 ROA1   Fr= 1--     -47.577                 95.006                 81.452
 CID1   Fr= 1--      -6.726                 23.170                  6.827
 Raman2 Fr= 1--       2.783                  1.731                  4.960
 ROA2   Fr= 1--     -12.416                 20.181                 13.224
 CID2   Fr= 1--      -4.461                 11.656                  2.666
 Raman3 Fr= 1--       5.567                  3.463                  9.921
 ROA3   Fr= 1--     -47.577                 95.006                 81.452
 CID3   Fr= 1--      -8.546                 27.436                  8.210
 RC180  Fr= 1--       0.574                  0.689                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01    -0.01  -0.02  -0.03     0.01   0.01   0.02
     2   6     0.00  -0.00   0.00    -0.01   0.03  -0.02     0.01  -0.01   0.01
     3   6    -0.00  -0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00  -0.00
     4   6    -0.03  -0.03   0.04     0.01   0.01  -0.01     0.01   0.01  -0.02
     5   6    -0.01  -0.00   0.00     0.01   0.00   0.00     0.01   0.01  -0.00
     6   6    -0.01  -0.01  -0.01    -0.01  -0.00   0.00    -0.01  -0.03  -0.00
     7   1    -0.04   0.03   0.08    -0.13   0.11   0.26     0.08  -0.06  -0.17
     8   1     0.06   0.03   0.05     0.23   0.16   0.14    -0.14  -0.09  -0.10
     9   1     0.01   0.02  -0.02    -0.13  -0.25   0.13     0.05   0.10  -0.07
    10   1    -0.02   0.02  -0.01     0.24  -0.20   0.05    -0.09   0.10   0.00
    11   6     0.01  -0.00   0.00    -0.01   0.02  -0.01     0.00   0.01   0.01
    12   1     0.01  -0.02  -0.01    -0.01   0.02   0.01    -0.00   0.00  -0.00
    13   1     0.30  -0.06  -0.38    -0.11   0.02   0.15    -0.13   0.03   0.17
    14   1     0.10   0.44  -0.14    -0.04  -0.18   0.05    -0.04  -0.19   0.06
    15   1     0.04  -0.01  -0.01    -0.06   0.03  -0.01     0.02   0.00  -0.00
    16   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   6    -0.02  -0.03  -0.01    -0.01  -0.01  -0.00    -0.01  -0.03  -0.01
    18   6     0.00  -0.01   0.02    -0.00   0.02   0.01    -0.01   0.02  -0.00
    19   6    -0.00  -0.01  -0.01    -0.00   0.01  -0.03     0.02  -0.01   0.02
    20   1     0.20   0.34   0.07     0.08   0.15   0.05     0.26   0.41   0.04
    21   1    -0.17   0.16  -0.13    -0.06   0.03  -0.09    -0.23   0.23  -0.17
    22   1     0.20  -0.12   0.17     0.14  -0.04   0.05     0.20  -0.15   0.21
    23   1    -0.01   0.08  -0.28    -0.17   0.00   0.06    -0.11  -0.03   0.14
    24   1    -0.08  -0.14  -0.00     0.09  -0.10  -0.22     0.09  -0.03  -0.16
    25   1     0.03   0.24   0.00     0.14  -0.21   0.06     0.12  -0.23   0.05
    26   1     0.01   0.00   0.11     0.15  -0.16   0.31    -0.06   0.04  -0.28
    27   1     0.03   0.08   0.00     0.10   0.19   0.01    -0.23  -0.11  -0.05
    28   1    -0.04  -0.01   0.04    -0.21  -0.22   0.08     0.07   0.14   0.06
    29   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   1     0.00  -0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    34   1     0.01   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1513.4308              1523.1423              1528.4381
 Red. masses --      1.0710                 1.0621                 1.0850
 Frc consts  --      1.4454                 1.4518                 1.4934
 IR Inten    --      3.0945                 7.4278                 9.6850
 RamAct Fr= 1--      5.8689                 2.1910                 5.5270
  Dep-P Fr= 1--      0.5727                 0.7188                 0.6042
  Dep-U Fr= 1--      0.7283                 0.8364                 0.7533
 Alpha2 Fr= 1--      0.0196                 0.0012                 0.0149
 Beta2  Fr= 1--      0.7124                 0.3054                 0.6939
 AlphaG Fr= 1--      0.0001                -0.0032                 0.0126
 Gamma2 Fr= 1--     -1.2067                -1.3338                -1.2192
 Delta2 Fr= 1--     -0.2666                -0.7870                -0.4564
 Raman1 Fr= 1--      23.476                  8.764                 22.108
 ROA1   Fr= 1--    -124.371               -153.224               -131.645
 CID1   Fr= 1--      -5.298                -17.484                 -5.955
 Raman2 Fr= 1--       8.549                  3.665                  8.327
 ROA2   Fr= 1--     -26.827                -25.714                -25.610
 CID2   Fr= 1--      -3.138                 -7.016                 -3.076
 Raman3 Fr= 1--      17.098                  7.330                 16.654
 ROA3   Fr= 1--    -124.371               -153.224               -131.645
 CID3   Fr= 1--      -7.274                -20.903                 -7.905
 RC180  Fr= 1--       0.457                  0.673                  0.507
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.02  -0.02     0.00  -0.00   0.00    -0.01  -0.04  -0.04
     2   6     0.00  -0.03   0.01     0.01  -0.04   0.01     0.01  -0.04   0.01
     3   6     0.01   0.00  -0.01     0.00   0.00   0.01    -0.00   0.00  -0.01
     4   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00     0.02   0.01  -0.01
     5   6    -0.00  -0.00  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
     6   6     0.01  -0.01   0.01    -0.00  -0.01   0.01    -0.00  -0.00   0.01
     7   1    -0.08   0.06   0.14     0.02  -0.02  -0.03    -0.21   0.16   0.40
     8   1     0.13   0.09   0.08    -0.02  -0.02  -0.01     0.35   0.25   0.21
     9   1     0.10   0.18  -0.08     0.16   0.30  -0.15     0.14   0.25  -0.14
    10   1    -0.16   0.14  -0.02    -0.28   0.25  -0.02    -0.24   0.21  -0.03
    11   6    -0.04   0.02   0.01    -0.00   0.01  -0.03     0.01  -0.01   0.01
    12   1    -0.03   0.00   0.02    -0.01  -0.01   0.01    -0.01  -0.01  -0.02
    13   1     0.03  -0.01  -0.07     0.05  -0.01  -0.06    -0.15   0.03   0.18
    14   1     0.01   0.06  -0.03     0.03   0.07  -0.01    -0.06  -0.21   0.06
    15   1     0.03  -0.03   0.02    -0.07   0.02  -0.01    -0.02   0.01   0.00
    16   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   6     0.01  -0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.00   0.02   0.00    -0.01  -0.00  -0.03    -0.01  -0.02   0.01
    19   6    -0.03  -0.02   0.01    -0.00   0.01  -0.02     0.01   0.01   0.01
    20   1     0.02  -0.04  -0.11     0.03   0.08   0.04     0.02   0.03   0.01
    21   1    -0.04   0.09   0.05    -0.02  -0.02  -0.07    -0.01   0.01  -0.02
    22   1    -0.14   0.01  -0.00     0.11  -0.01   0.01     0.02  -0.01   0.01
    23   1    -0.18  -0.01   0.10     0.20  -0.11   0.36     0.13   0.04  -0.21
    24   1     0.11  -0.09  -0.24     0.10   0.32   0.15    -0.07  -0.00   0.10
    25   1     0.18  -0.24   0.06    -0.14  -0.20  -0.04    -0.03   0.27  -0.02
    26   1    -0.18   0.29   0.14     0.15  -0.16   0.31     0.01  -0.04  -0.17
    27   1     0.43  -0.11   0.11     0.11   0.21   0.01    -0.17  -0.07  -0.04
    28   1     0.28   0.06  -0.37    -0.21  -0.22   0.07    -0.01   0.05   0.07
    29   6     0.00   0.00   0.00    -0.01   0.00   0.00    -0.01   0.00  -0.00
    30   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.01
    34   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1788.9246              3029.7172              3033.5596
 Red. masses --     11.1076                 1.0352                 1.0402
 Frc consts  --     20.9438                 5.5985                 5.6400
 IR Inten    --    241.8387                22.2010                11.2107
 RamAct Fr= 1--      9.8593                74.2141                 6.7847
  Dep-P Fr= 1--      0.1633                 0.0110                 0.7472
  Dep-U Fr= 1--      0.2807                 0.0218                 0.8553
 Alpha2 Fr= 1--      0.1473                 1.6074                 0.0003
 Beta2  Fr= 1--      0.4613                 0.2690                 0.9672
 AlphaG Fr= 1--     -0.0457                -0.1506                 0.0020
 Gamma2 Fr= 1--     -0.5598                -0.5351                 0.2370
 Delta2 Fr= 1--     -0.0610                -1.4528                 0.6485
 Raman1 Fr= 1--      39.437                296.856                 27.139
 ROA1   Fr= 1--     -55.696                -97.862                 43.501
 CID1   Fr= 1--      -1.412                 -0.330                  1.603
 Raman2 Fr= 1--       5.535                  3.228                 11.606
 ROA2   Fr= 1--     -12.948                 -1.220                  0.499
 CID2   Fr= 1--      -2.339                 -0.378                  0.043
 Raman3 Fr= 1--      11.070                  6.457                 23.212
 ROA3   Fr= 1--     -55.696                -97.862                 43.501
 CID3   Fr= 1--      -5.031                -15.156                  1.874
 RC180  Fr= 1--      -0.439                 -0.956                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.02   0.03  -0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   1     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.02   0.01   0.00
     8   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.00   0.01
     9   1    -0.01  -0.02   0.01    -0.02   0.01   0.00    -0.01   0.00   0.00
    10   1     0.01  -0.02   0.00     0.03   0.03  -0.02     0.01   0.01  -0.01
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   1     0.01   0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.05   0.00   0.02     0.00   0.00  -0.00     0.00   0.01  -0.00
    14   1     0.01   0.03  -0.02    -0.00   0.00   0.00     0.01  -0.00  -0.01
    15   1     0.14   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.01   0.01
    16   8     0.00  -0.05   0.01     0.00   0.00   0.00     0.00   0.00  -0.00
    17   6    -0.00   0.00  -0.00    -0.00   0.00  -0.05    -0.00  -0.00   0.00
    18   6     0.00  -0.00   0.00    -0.01   0.00   0.00     0.04  -0.00  -0.01
    19   6     0.00  -0.00   0.00    -0.00   0.01   0.00    -0.02   0.03   0.01
    20   1    -0.01  -0.00   0.01     0.44  -0.29   0.13    -0.02   0.01  -0.00
    21   1     0.00  -0.01  -0.00    -0.44  -0.28   0.15     0.03   0.02  -0.01
    22   1     0.01  -0.00   0.01     0.01   0.53   0.30    -0.00   0.00   0.00
    23   1    -0.00  -0.00   0.00     0.00   0.03   0.01     0.00  -0.23  -0.07
    24   1     0.01   0.01  -0.00     0.04  -0.03   0.03    -0.34   0.25  -0.27
    25   1    -0.00  -0.00   0.00     0.02  -0.00  -0.07    -0.11   0.03   0.45
    26   1    -0.00   0.00  -0.00    -0.04  -0.02   0.01    -0.20  -0.11   0.03
    27   1    -0.00   0.00   0.00     0.03   0.00  -0.11     0.10   0.01  -0.44
    28   1     0.00  -0.00  -0.00     0.07  -0.04   0.05     0.34  -0.22   0.23
    29   6     0.00   0.76  -0.08    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.03  -0.07   0.01     0.00  -0.00   0.00     0.00   0.00  -0.00
    31   8    -0.03  -0.48   0.05     0.00   0.00   0.00    -0.00   0.00  -0.00
    32   1     0.05  -0.17  -0.07     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1    -0.12   0.25  -0.02    -0.00  -0.00   0.00     0.00  -0.00   0.00
    34   1     0.05  -0.15   0.09     0.00   0.00   0.00     0.00   0.00  -0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3040.1271              3054.5447              3055.9499
 Red. masses --      1.0402                 1.0366                 1.0609
 Frc consts  --      5.6643                 5.6983                 5.8374
 IR Inten    --     51.8768                 2.5299                29.8673
 RamAct Fr= 1--    327.0996               172.6272                71.5886
  Dep-P Fr= 1--      0.0310                 0.0063                 0.3141
  Dep-U Fr= 1--      0.0602                 0.0125                 0.4781
 Alpha2 Fr= 1--      6.7582                 3.7800                 0.7036
 Beta2  Fr= 1--      3.2828                 0.3609                 5.7039
 AlphaG Fr= 1--     -0.1043                 0.0497                -0.0082
 Gamma2 Fr= 1--     -0.1220                 0.0545                -3.9132
 Delta2 Fr= 1--      1.8987                -0.1384                -3.1322
 Raman1 Fr= 1--    1308.398                690.509                286.354
 ROA1   Fr= 1--      49.043                  0.808               -475.898
 CID1   Fr= 1--       0.037                  0.001                 -1.662
 Raman2 Fr= 1--      39.393                  4.330                 68.446
 ROA2   Fr= 1--     -18.118                  2.416                -68.859
 CID2   Fr= 1--      -0.460                  0.558                 -1.006
 Raman3 Fr= 1--      78.786                  8.661                136.892
 ROA3   Fr= 1--      49.043                  0.808               -475.898
 CID3   Fr= 1--       0.622                  0.093                 -3.476
 RC180  Fr= 1--      -0.880                 -0.975                 -0.044
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.03  -0.05
     2   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.02  -0.01
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01   0.01
     4   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   1     0.03   0.01   0.01     0.00   0.00   0.00     0.58   0.26   0.14
     8   1    -0.02   0.00   0.02    -0.00   0.00   0.00    -0.46   0.14   0.48
     9   1    -0.02   0.01   0.00     0.00  -0.00  -0.00     0.11  -0.05  -0.01
    10   1     0.03   0.03  -0.02     0.00  -0.00  -0.00    -0.16  -0.15   0.09
    11   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.03  -0.02   0.03    -0.00   0.00  -0.00    -0.12   0.10  -0.15
    13   1    -0.00  -0.02   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
    14   1    -0.01   0.01   0.01     0.00  -0.00  -0.00     0.03  -0.02  -0.04
    15   1    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   8     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.04  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    19   6     0.02  -0.03  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.09  -0.06   0.03     0.00  -0.00   0.00     0.00  -0.00   0.00
    21   1    -0.08  -0.05   0.03    -0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1     0.00   0.09   0.05     0.00   0.00   0.00     0.00   0.02   0.01
    23   1     0.00  -0.22  -0.06    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    24   1    -0.32   0.24  -0.26    -0.00   0.00  -0.00     0.02  -0.01   0.01
    25   1    -0.10   0.03   0.41    -0.00   0.00   0.00     0.00   0.00  -0.01
    26   1     0.21   0.12  -0.03     0.00   0.00  -0.00     0.00   0.00  -0.00
    27   1    -0.10  -0.01   0.44    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    28   1    -0.35   0.23  -0.24    -0.00   0.00  -0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    30   6     0.00  -0.00   0.00    -0.02   0.04  -0.00     0.00  -0.00   0.00
    31   8     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    32   1     0.00   0.00  -0.00    -0.02  -0.32   0.54     0.00   0.00  -0.00
    33   1    -0.00  -0.00   0.00     0.35   0.22  -0.03    -0.00  -0.00   0.00
    34   1     0.00   0.00   0.00    -0.05  -0.42  -0.51     0.00   0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3067.5574              3069.4327              3080.4378
 Red. masses --      1.0702                 1.0676                 1.1012
 Frc consts  --      5.9336                 5.9263                 6.1567
 IR Inten    --     34.6101                11.7044                 1.3800
 RamAct Fr= 1--    102.2448                54.0592                 4.2118
  Dep-P Fr= 1--      0.0667                 0.3517                 0.5336
  Dep-U Fr= 1--      0.1250                 0.5204                 0.6959
 Alpha2 Fr= 1--      1.9408                 0.4720                 0.0176
 Beta2  Fr= 1--      2.1298                 4.6886                 0.4885
 AlphaG Fr= 1--      0.0379                -0.0415                 0.0582
 Gamma2 Fr= 1--      4.3691                 8.1561                -6.9603
 Delta2 Fr= 1--      3.6020                 3.2207                -4.5183
 Raman1 Fr= 1--     408.979                216.237                 16.847
 ROA1   Fr= 1--     534.695                886.049               -812.779
 CID1   Fr= 1--       1.307                  4.098                -48.244
 Raman2 Fr= 1--      25.557                 56.264                  5.862
 ROA2   Fr= 1--      76.042                169.980               -130.901
 CID2   Fr= 1--       2.975                  3.021                -22.331
 Raman3 Fr= 1--      51.115                112.527                 11.724
 ROA3   Fr= 1--     534.695                886.049               -812.779
 CID3   Fr= 1--      10.461                  7.874                -69.328
 RC180  Fr= 1--      -0.750                  0.041                  0.392
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.02    -0.01  -0.00   0.01     0.00   0.00  -0.00
     2   6    -0.03  -0.06   0.03    -0.00  -0.01   0.00    -0.00  -0.00   0.00
     3   6     0.01  -0.00   0.01     0.02  -0.02   0.03    -0.00   0.00  -0.00
     4   6    -0.01  -0.00   0.01     0.04   0.02  -0.04     0.00   0.00  -0.00
     5   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   1     0.02   0.01   0.00     0.06   0.03   0.02    -0.03  -0.01  -0.01
     8   1    -0.19   0.06   0.21     0.09  -0.03  -0.09    -0.03   0.01   0.03
     9   1    -0.27   0.12   0.02    -0.06   0.03   0.00     0.01  -0.00  -0.00
    10   1     0.59   0.55  -0.35     0.06   0.05  -0.03     0.01   0.01  -0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    12   1    -0.07   0.05  -0.08    -0.25   0.21  -0.32     0.01  -0.01   0.02
    13   1     0.00   0.06  -0.00    -0.01  -0.48   0.03    -0.00  -0.03   0.00
    14   1     0.07  -0.05  -0.08    -0.43   0.29   0.49    -0.02   0.02   0.03
    15   1     0.00   0.02   0.02     0.00   0.01   0.01    -0.00  -0.00  -0.00
    16   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
    18   6    -0.00   0.01   0.00    -0.00   0.00  -0.00    -0.02   0.02  -0.06
    19   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.02   0.06
    20   1    -0.03   0.02  -0.01     0.01  -0.01   0.00    -0.04   0.02  -0.01
    21   1    -0.02  -0.01   0.00    -0.00   0.00  -0.00     0.12   0.07  -0.04
    22   1     0.00  -0.06  -0.04    -0.00  -0.02  -0.01     0.00   0.14   0.08
    23   1    -0.00  -0.04  -0.01    -0.00  -0.02  -0.01    -0.00  -0.01  -0.02
    24   1     0.03  -0.02   0.03     0.00  -0.00   0.00     0.33  -0.24   0.25
    25   1     0.01  -0.00  -0.04    -0.00   0.00   0.01    -0.13   0.04   0.48
    26   1    -0.01  -0.01   0.00     0.02   0.02  -0.00    -0.00  -0.01   0.02
    27   1    -0.00   0.00   0.00    -0.01   0.00   0.01     0.12  -0.00  -0.47
    28   1     0.01  -0.01   0.01     0.03  -0.02   0.02    -0.35   0.23  -0.23
    29   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    33   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    34   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3081.7172              3086.5526              3088.2269
 Red. masses --      1.0833                 1.1003                 1.1005
 Frc consts  --      6.0618                 6.1762                 6.1836
 IR Inten    --     37.5755                61.2116                30.9320
 RamAct Fr= 1--    243.3077                27.7814                97.1397
  Dep-P Fr= 1--      0.0608                 0.7349                 0.3714
  Dep-U Fr= 1--      0.1147                 0.8472                 0.5416
 Alpha2 Fr= 1--      4.6836                 0.0072                 0.7946
 Beta2  Fr= 1--      4.6497                 3.9226                 8.7687
 AlphaG Fr= 1--     -0.1103                 0.0020                -0.4505
 Gamma2 Fr= 1--      7.2060                14.9554               -17.9685
 Delta2 Fr= 1--      1.5810                 2.5033                -1.9265
 Raman1 Fr= 1--     973.231                111.126                388.559
 ROA1   Fr= 1--     742.370               1515.828              -1786.627
 CID1   Fr= 1--       0.763                 13.641                 -4.598
 Raman2 Fr= 1--      55.796                 47.071                105.224
 ROA2   Fr= 1--     160.296                338.904               -415.833
 CID2   Fr= 1--       2.873                  7.200                 -3.952
 Raman3 Fr= 1--     111.593                 94.142                210.449
 ROA3   Fr= 1--     742.370               1515.828              -1786.627
 CID3   Fr= 1--       6.652                 16.102                 -8.490
 RC180  Fr= 1--      -0.771                  0.694                  0.083
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.02     0.01   0.00  -0.00    -0.08  -0.01   0.02
     2   6    -0.01  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.02   0.00
     3   6    -0.04   0.03  -0.05    -0.00   0.00  -0.01    -0.01   0.01  -0.02
     4   6     0.02   0.00  -0.03     0.00   0.00  -0.00     0.00  -0.01  -0.00
     5   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   1    -0.01  -0.00  -0.01    -0.09  -0.04  -0.03     0.63   0.29   0.18
     8   1    -0.21   0.07   0.23    -0.07   0.03   0.08     0.33  -0.12  -0.37
     9   1     0.05  -0.03  -0.00     0.04  -0.02  -0.00    -0.27   0.13   0.01
    10   1     0.06   0.06  -0.03    -0.01  -0.01   0.01     0.06   0.05  -0.03
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.44  -0.36   0.54     0.06  -0.05   0.07     0.15  -0.12   0.18
    13   1    -0.01  -0.20   0.01    -0.00  -0.02   0.00     0.00   0.10  -0.01
    14   1    -0.27   0.18   0.30    -0.02   0.02   0.03    -0.01   0.01   0.02
    15   1     0.00   0.02   0.01     0.00   0.01   0.01     0.01   0.03   0.02
    16   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    17   6     0.01  -0.00   0.00    -0.03   0.04   0.00    -0.01   0.01   0.00
    18   6     0.00  -0.00   0.01    -0.01   0.01  -0.05    -0.00   0.01  -0.01
    19   6    -0.00   0.00   0.01    -0.02   0.01  -0.04     0.00   0.00  -0.00
    20   1    -0.05   0.03  -0.02     0.37  -0.24   0.12     0.06  -0.04   0.02
    21   1    -0.03  -0.02   0.01     0.06   0.05  -0.02     0.00   0.00  -0.00
    22   1     0.00  -0.00  -0.00    -0.01  -0.27  -0.15    -0.00  -0.07  -0.04
    23   1     0.00   0.01   0.01    -0.00   0.01  -0.01    -0.00  -0.07  -0.02
    24   1    -0.04   0.03  -0.03     0.28  -0.20   0.21     0.07  -0.05   0.05
    25   1     0.03  -0.01  -0.12    -0.12   0.03   0.42    -0.01   0.01   0.03
    26   1    -0.01  -0.00   0.00     0.01   0.01  -0.01    -0.03  -0.02   0.00
    27   1     0.02  -0.00  -0.07    -0.09   0.00   0.36    -0.00   0.00   0.01
    28   1    -0.00   0.00  -0.00     0.28  -0.18   0.18     0.01  -0.01   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    31   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3089.2548              3092.8392              3099.9202
 Red. masses --      1.1004                 1.1006                 1.0889
 Frc consts  --      6.1874                 6.2028                 6.1650
 IR Inten    --     20.0936                27.1032                 9.1174
 RamAct Fr= 1--    134.0386                68.8353                51.7844
  Dep-P Fr= 1--      0.6963                 0.6404                 0.3354
  Dep-U Fr= 1--      0.8210                 0.7808                 0.5024
 Alpha2 Fr= 1--      0.1257                 0.1362                 0.4763
 Beta2  Fr= 1--     18.3400                 8.9579                 4.3359
 AlphaG Fr= 1--     -0.0702                 0.0951                 0.5360
 Gamma2 Fr= 1--    -21.5509                17.0307               -16.0677
 Delta2 Fr= 1--     -8.8768                 8.6736               -10.6764
 Raman1 Fr= 1--     536.155                275.341                207.138
 ROA1   Fr= 1--   -2352.947               1912.501              -1884.145
 CID1   Fr= 1--      -4.389                  6.946                 -9.096
 Raman2 Fr= 1--     220.080                107.495                 52.030
 ROA2   Fr= 1--    -446.207                339.347               -300.213
 CID2   Fr= 1--      -2.027                  3.157                 -5.770
 Raman3 Fr= 1--     440.160                214.991                104.061
 ROA3   Fr= 1--   -2352.947               1912.501              -1884.145
 CID3   Fr= 1--      -5.346                  8.896                -18.106
 RC180  Fr= 1--       0.642                  0.562                  0.005
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.03   0.01
     5   6     0.00   0.01   0.01     0.00   0.01   0.01    -0.02  -0.06  -0.05
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   1     0.03   0.02   0.01     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   1     0.01  -0.01  -0.02    -0.01   0.00   0.01     0.01  -0.00  -0.01
     9   1    -0.02   0.01   0.00    -0.06   0.03   0.00    -0.00   0.00  -0.00
    10   1     0.02   0.02  -0.01     0.03   0.03  -0.02    -0.01  -0.01   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    12   1     0.03  -0.02   0.03     0.01  -0.01   0.01     0.01  -0.01   0.02
    13   1     0.00   0.02  -0.00     0.00   0.03  -0.00    -0.01  -0.30   0.02
    14   1    -0.01   0.01   0.01    -0.02   0.01   0.02     0.12  -0.07  -0.13
    15   1    -0.02  -0.09  -0.07    -0.02  -0.10  -0.08     0.16   0.71   0.53
    16   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    17   6     0.03  -0.07  -0.01    -0.08  -0.04  -0.00    -0.01  -0.01  -0.00
    18   6    -0.01   0.01  -0.02     0.00  -0.01   0.02     0.00   0.00   0.00
    19   6    -0.02   0.01  -0.04    -0.00  -0.00  -0.00     0.01   0.00  -0.01
    20   1    -0.46   0.29  -0.15     0.30  -0.22   0.10    -0.01   0.00  -0.00
    21   1     0.06   0.02  -0.02     0.65   0.41  -0.23     0.09   0.05  -0.03
    22   1     0.02   0.50   0.29    -0.01   0.30   0.18     0.00   0.12   0.07
    23   1    -0.00  -0.02  -0.01     0.00   0.01   0.01     0.00  -0.00  -0.00
    24   1     0.14  -0.10   0.11    -0.09   0.07  -0.07    -0.00   0.00  -0.00
    25   1    -0.06   0.02   0.20     0.05  -0.01  -0.18     0.00  -0.00  -0.00
    26   1     0.04   0.03  -0.02     0.01   0.01  -0.00    -0.11  -0.07   0.02
    27   1    -0.09   0.00   0.34    -0.00  -0.00   0.01    -0.02   0.00   0.09
    28   1     0.25  -0.16   0.16     0.01  -0.00   0.00    -0.00   0.01  -0.01
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    31   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    32   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    34   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3112.1729              3113.4638              3118.5311
 Red. masses --      1.0997                 1.1009                 1.0989
 Frc consts  --      6.2755                 6.2879                 6.2965
 IR Inten    --      5.1083                16.7982                47.2973
 RamAct Fr= 1--     45.9763                59.5813                54.9223
  Dep-P Fr= 1--      0.7480                 0.3361                 0.5760
  Dep-U Fr= 1--      0.8559                 0.5031                 0.7310
 Alpha2 Fr= 1--      0.0015                 0.5469                 0.1797
 Beta2  Fr= 1--      6.5582                 4.9959                 6.6910
 AlphaG Fr= 1--      0.0052                 0.8689                -0.0033
 Gamma2 Fr= 1--      3.7828                 8.3791                 5.0802
 Delta2 Fr= 1--      2.9929                 3.0378                 2.4402
 Raman1 Fr= 1--     183.905                238.325                219.689
 ROA1   Fr= 1--     458.925                901.598                565.787
 CID1   Fr= 1--       2.495                  3.783                  2.575
 Raman2 Fr= 1--      78.699                 59.951                 80.292
 ROA2   Fr= 1--      66.844                176.795                102.403
 CID2   Fr= 1--       0.849                  2.949                  1.275
 Raman3 Fr= 1--     157.398                119.901                160.583
 ROA3   Fr= 1--     458.925                901.598                565.787
 CID3   Fr= 1--       2.916                  7.520                  3.523
 RC180  Fr= 1--       0.712                  0.006                  0.462
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00   0.01
     2   6     0.00  -0.00  -0.00    -0.02   0.01   0.00    -0.08   0.01   0.01
     3   6    -0.00   0.00  -0.00     0.01  -0.00   0.01    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.02  -0.07  -0.02    -0.01   0.02   0.01
     5   6     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.00   0.01   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.00     0.15   0.07   0.05
     8   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.14  -0.05  -0.15
     9   1    -0.01   0.00   0.00     0.22  -0.11  -0.01     0.76  -0.38  -0.03
    10   1    -0.00  -0.00   0.00     0.04   0.04  -0.03     0.20   0.21  -0.13
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1     0.00  -0.00   0.00    -0.06   0.05  -0.07     0.01  -0.01   0.02
    13   1    -0.00  -0.03   0.00     0.03   0.72  -0.06    -0.01  -0.17   0.01
    14   1     0.01  -0.00  -0.01    -0.27   0.16   0.31     0.08  -0.05  -0.09
    15   1    -0.00  -0.01  -0.01     0.05   0.22   0.16    -0.01  -0.06  -0.04
    16   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    18   6     0.00  -0.00  -0.00    -0.00   0.01   0.00    -0.00   0.01   0.01
    19   6    -0.00  -0.00   0.00     0.03   0.01  -0.01    -0.01  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.01   0.00  -0.00     0.02  -0.02   0.01
    21   1     0.00   0.00  -0.00     0.01   0.01  -0.00     0.03   0.02  -0.01
    22   1    -0.00  -0.00  -0.00     0.00   0.03   0.02    -0.00   0.01   0.00
    23   1     0.00   0.00   0.00    -0.00  -0.06  -0.02    -0.00  -0.16  -0.05
    24   1    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.03  -0.02   0.02
    25   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.01   0.00  -0.05
    26   1     0.01   0.01  -0.00    -0.28  -0.17   0.04     0.06   0.04  -0.01
    27   1     0.00  -0.00  -0.00    -0.02   0.00   0.10     0.00  -0.00  -0.02
    28   1     0.00  -0.00   0.00    -0.05   0.04  -0.04     0.02  -0.01   0.01
    29   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    30   6    -0.00  -0.01  -0.09     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    32   1    -0.02  -0.39   0.60    -0.00  -0.01   0.02     0.00  -0.00   0.00
    33   1     0.03   0.02  -0.02    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    34   1     0.05   0.46   0.52     0.00   0.02   0.02     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3129.5554              3131.1019              3159.5195
 Red. masses --      1.0947                 1.0953                 1.1027
 Frc consts  --      6.3170                 6.3269                 6.4854
 IR Inten    --     26.4264                23.3661                 8.1023
 RamAct Fr= 1--     55.0752                51.9442                69.9591
  Dep-P Fr= 1--      0.3293                 0.5614                 0.5944
  Dep-U Fr= 1--      0.4955                 0.7191                 0.7456
 Alpha2 Fr= 1--      0.5164                 0.1859                 0.2022
 Beta2  Fr= 1--      4.5481                 6.2256                 8.6940
 AlphaG Fr= 1--      0.4032                 0.0353                -0.0432
 Gamma2 Fr= 1--     -1.1894                 2.2953                -1.0797
 Delta2 Fr= 1--      1.2613                -0.6044                -0.6220
 Raman1 Fr= 1--     220.301                207.777                279.836
 ROA1   Fr= 1--     -73.823                201.005               -123.556
 CID1   Fr= 1--      -0.335                  0.967                 -0.442
 Raman2 Fr= 1--      54.577                 74.708                104.328
 ROA2   Fr= 1--     -38.636                 59.921                -20.938
 CID2   Fr= 1--      -0.708                  0.802                 -0.201
 Raman3 Fr= 1--     109.153                149.415                208.656
 ROA3   Fr= 1--     -73.823                201.005               -123.556
 CID3   Fr= 1--      -0.676                  1.345                 -0.592
 RC180  Fr= 1--      -0.009                  0.438                  0.491
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.02  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00  -0.03  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.02  -0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   1     0.00   0.00   0.00     0.10   0.04   0.03    -0.00  -0.00  -0.00
     8   1     0.00   0.00  -0.00     0.03  -0.01  -0.04    -0.00   0.00   0.00
     9   1     0.01  -0.01  -0.00     0.11  -0.06  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.01  -0.00     0.08   0.08  -0.05    -0.00  -0.00   0.00
    11   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    12   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.01   0.27  -0.02     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.07   0.04   0.08    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1     0.05   0.21   0.16    -0.00  -0.00  -0.00     0.00   0.01   0.00
    16   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.00  -0.00  -0.00     0.01  -0.08  -0.03     0.00  -0.00  -0.00
    19   6    -0.07  -0.03   0.02     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22   1    -0.00   0.00   0.00     0.00   0.01   0.01     0.00   0.00   0.00
    23   1     0.00   0.04   0.01     0.02   0.89   0.25     0.00   0.00   0.00
    24   1    -0.01   0.00  -0.00    -0.14   0.09  -0.12    -0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00    -0.05  -0.00   0.22    -0.00   0.00   0.00
    26   1     0.74   0.44  -0.11    -0.04  -0.02   0.01     0.00   0.00  -0.00
    27   1     0.04  -0.00  -0.22    -0.00   0.00   0.01    -0.00  -0.00   0.00
    28   1     0.12  -0.10   0.10    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.07  -0.06   0.01
    31   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    32   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.15  -0.26
    33   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.78   0.46  -0.06
    34   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.16   0.21

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  8 and mass  15.99491
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  6 and mass  12.00000
 Atom    31 has atomic number  8 and mass  15.99491
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Molecular mass:   196.14633 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1396.385173819.652813882.59467
           X            0.99982  -0.01825  -0.00573
           Y            0.01847   0.99900   0.04084
           Z            0.00498  -0.04094   0.99915
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06203     0.02268     0.02231
 Rotational constants (GHZ):           1.29244     0.47249     0.46483
 Zero-point vibrational energy     793809.7 (Joules/Mol)
                                  189.72508 (Kcal/Mol)
 Warning -- explicit consideration of  22 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     58.26    72.15   105.19   139.51   213.80
          (Kelvin)            281.91   315.99   321.43   338.48   343.69
                              349.87   387.40   478.08   503.26   524.92
                              581.48   622.29   684.77   741.47   758.85
                              839.84   854.83   893.19   925.82   954.29
                             1080.17  1151.59  1202.02  1222.65  1290.89
                             1327.73  1340.68  1370.33  1380.40  1386.64
                             1401.47  1436.72  1450.32  1473.14  1509.37
                             1522.05  1537.22  1541.24  1593.55  1638.71
                             1673.99  1687.81  1714.21  1763.08  1777.54
                             1805.62  1815.66  1828.34  1847.44  1882.05
                             1889.57  1923.20  1930.97  1961.31  2010.17
                             2023.53  2033.00  2042.42  2058.54  2117.27
                             2126.66  2136.50  2141.96  2153.14  2158.87
                             2162.60  2170.04  2177.49  2191.46  2199.08
                             2573.86  4359.09  4364.62  4374.06  4394.81
                             4396.83  4413.53  4416.23  4432.06  4433.90
                             4440.86  4443.27  4444.75  4449.91  4460.09
                             4477.72  4479.58  4486.87  4502.73  4504.96
                             4545.84
 
 Zero-point correction=                           0.302346 (Hartree/Particle)
 Thermal correction to Energy=                    0.316883
 Thermal correction to Enthalpy=                  0.317827
 Thermal correction to Gibbs Free Energy=         0.261350
 Sum of electronic and zero-point Energies=           -619.787303
 Sum of electronic and thermal Energies=              -619.772766
 Sum of electronic and thermal Enthalpies=            -619.771822
 Sum of electronic and thermal Free Energies=         -619.828299
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  198.847             56.782            118.866
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.726
 Rotational               0.889              2.981             31.405
 Vibrational            197.069             50.820             45.735
 Vibration     1          0.594              1.981              5.235
 Vibration     2          0.595              1.978              4.812
 Vibration     3          0.599              1.967              4.068
 Vibration     4          0.603              1.951              3.514
 Vibration     5          0.618              1.904              2.690
 Vibration     6          0.636              1.846              2.171
 Vibration     7          0.647              1.811              1.962
 Vibration     8          0.649              1.805              1.931
 Vibration     9          0.655              1.787              1.838
 Vibration    10          0.657              1.781              1.811
 Vibration    11          0.659              1.774              1.780
 Vibration    12          0.674              1.730              1.601
 Vibration    13          0.714              1.611              1.249
 Vibration    14          0.727              1.576              1.167
 Vibration    15          0.738              1.545              1.101
 Vibration    16          0.769              1.461              0.948
 Vibration    17          0.793              1.399              0.850
 Vibration    18          0.833              1.303              0.721
 Vibration    19          0.870              1.216              0.621
 Vibration    20          0.882              1.189              0.593
 Vibration    21          0.941              1.067              0.479
 Vibration    22          0.952              1.044              0.460
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.612970-120       -120.212561       -276.799651
 Total V=0       0.719272D+19         18.856893         43.419601
 Vib (Bot)       0.348493-134       -134.457806       -309.600540
 Vib (Bot)    1  0.510908D+01          0.708343          1.631019
 Vib (Bot)    2  0.412232D+01          0.615142          1.416416
 Vib (Bot)    3  0.281962D+01          0.450191          1.036603
 Vib (Bot)    4  0.211768D+01          0.325861          0.750322
 Vib (Bot)    5  0.136507D+01          0.135156          0.311208
 Vib (Bot)    6  0.101921D+01          0.008263          0.019025
 Vib (Bot)    7  0.900794D+00         -0.045375         -0.104479
 Vib (Bot)    8  0.884127D+00         -0.053485         -0.123155
 Vib (Bot)    9  0.835262D+00         -0.078177         -0.180010
 Vib (Bot)   10  0.821260D+00         -0.085519         -0.196915
 Vib (Bot)   11  0.805185D+00         -0.094104         -0.216683
 Vib (Bot)   12  0.718022D+00         -0.143862         -0.331255
 Vib (Bot)   13  0.561525D+00         -0.250631         -0.577099
 Vib (Bot)   14  0.527548D+00         -0.277738         -0.639515
 Vib (Bot)   15  0.500758D+00         -0.300372         -0.691632
 Vib (Bot)   16  0.439674D+00         -0.356869         -0.821722
 Vib (Bot)   17  0.402063D+00         -0.395706         -0.911146
 Vib (Bot)   18  0.352624D+00         -0.452688         -1.042352
 Vib (Bot)   19  0.314547D+00         -0.502314         -1.156621
 Vib (Bot)   20  0.303949D+00         -0.517200         -1.190897
 Vib (Bot)   21  0.260084D+00         -0.584887         -1.346752
 Vib (Bot)   22  0.252838D+00         -0.597157         -1.375005
 Vib (V=0)       0.408929D+05          4.611648         10.618711
 Vib (V=0)    1  0.563349D+01          0.750777          1.728729
 Vib (V=0)    2  0.465253D+01          0.667689          1.537411
 Vib (V=0)    3  0.336361D+01          0.526806          1.213016
 Vib (V=0)    4  0.267591D+01          0.427471          0.984289
 Vib (V=0)    5  0.195376D+01          0.290872          0.669757
 Vib (V=0)    6  0.163525D+01          0.213583          0.491793
 Vib (V=0)    7  0.153026D+01          0.184764          0.425436
 Vib (V=0)    8  0.151572D+01          0.180618          0.415888
 Vib (V=0)    9  0.147348D+01          0.168344          0.387627
 Vib (V=0)   10  0.146149D+01          0.164797          0.379458
 Vib (V=0)   11  0.144780D+01          0.160708          0.370044
 Vib (V=0)   12  0.137496D+01          0.138290          0.318425
 Vib (V=0)   13  0.125187D+01          0.097560          0.224639
 Vib (V=0)   14  0.122685D+01          0.088791          0.204448
 Vib (V=0)   15  0.120764D+01          0.081939          0.188670
 Vib (V=0)   16  0.116582D+01          0.066631          0.153423
 Vib (V=0)   17  0.114160D+01          0.057515          0.132434
 Vib (V=0)   18  0.111184D+01          0.046041          0.106013
 Vib (V=0)   19  0.109071D+01          0.037710          0.086830
 Vib (V=0)   20  0.108514D+01          0.035484          0.081706
 Vib (V=0)   21  0.106360D+01          0.026778          0.061658
 Vib (V=0)   22  0.106029D+01          0.025426          0.058544
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.107975D+09          8.033324         18.497412
 Rotational      0.162900D+07          6.211921         14.303477
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000003658   -0.000030212    0.000030968
      2        6           0.000045933    0.000052805   -0.000016391
      3        6           0.000039962   -0.000010728   -0.000036515
      4        6          -0.000024666    0.000004330    0.000019804
      5        6          -0.000002967    0.000008917   -0.000008026
      6        6          -0.000024684   -0.000003066    0.000018762
      7        1          -0.000009513   -0.000000794    0.000007121
      8        1          -0.000002990    0.000005735   -0.000000916
      9        1          -0.000003299   -0.000001636   -0.000000715
     10        1           0.000017438   -0.000005908    0.000009608
     11        6          -0.000003130    0.000007243   -0.000000823
     12        1           0.000001796    0.000000935    0.000000154
     13        1          -0.000010275   -0.000000686    0.000003118
     14        1           0.000008383    0.000012014   -0.000004338
     15        1           0.000010641   -0.000008644    0.000006920
     16        8           0.000003050    0.000005576    0.000000306
     17        6          -0.000000850   -0.000004895    0.000004071
     18        6          -0.000002085   -0.000000929   -0.000003366
     19        6          -0.000012641    0.000004187    0.000003525
     20        1          -0.000002560   -0.000003375   -0.000003891
     21        1          -0.000005237    0.000004698   -0.000005056
     22        1           0.000002549    0.000002740    0.000018171
     23        1          -0.000030007   -0.000006092   -0.000015144
     24        1          -0.000004024   -0.000000771    0.000001911
     25        1           0.000000631   -0.000003244    0.000012150
     26        1          -0.000009647   -0.000000111   -0.000014774
     27        1           0.000015622   -0.000017526   -0.000017407
     28        1           0.000000706   -0.000000670   -0.000000158
     29        6           0.000000814   -0.000000621    0.000002331
     30        6          -0.000000489   -0.000001502   -0.000001684
     31        8           0.000000398   -0.000001563   -0.000003978
     32        1          -0.000000299   -0.000000843   -0.000001680
     33        1          -0.000000161   -0.000002112   -0.000002781
     34        1          -0.000002058   -0.000003252   -0.000001275
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000052805 RMS     0.000012848
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.160611D+03 -0.187265D+01 -0.757708D+00
      2  -0.187265D+01  0.136043D+03 -0.409959D+00
      3  -0.757708D+00 -0.409959D+00  0.130132D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.150819D+00  0.100343D+01  0.768180D+01
      2  -0.447078D+00 -0.438153D+01 -0.474064D+02
      3  -0.501174D+01  0.220014D+02  0.350759D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.103596D+02  0.460295D+01 -0.336220D+00
      2   0.977448D+01  0.457029D+01 -0.113360D+02
      3   0.585071D+00 -0.917324D+01  0.116722D+02
      4  -0.917378D+01 -0.491154D+02 -0.131362D+02
      5   0.756160D+01 -0.121479D+02 -0.990324D+02
      6  -0.542034D+01  0.162292D+01 -0.314030D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.255452D+01  0.284149D+01  0.326610D+01  0.233496D+01  0.693058D+00
      2   0.284149D+01  0.818558D+00  0.260730D+00  0.693058D+00 -0.313943D+01
      3   0.326610D+01  0.260730D+00 -0.351710D+01  0.634044D+00 -0.689358D-01
                 6             7             8             9            10 
      1   0.634044D+00  0.200207D+01  0.407394D+00 -0.316207D+01 -0.158274D+01
      2  -0.689358D-01  0.407394D+00  0.859564D-02  0.262523D+01  0.366473D+01
      3   0.251188D+01 -0.316207D+01  0.262523D+01  0.328545D+00 -0.128805D+01
                11            12            13            14            15 
      1   0.366473D+01 -0.128805D+01  0.350869D+01  0.350326D+00 -0.131607D+01
      2   0.357868D+00 -0.136019D+01  0.350326D+00  0.209000D+00 -0.292125D+01
      3  -0.136019D+01  0.193085D+01 -0.131607D+01 -0.292125D+01 -0.258077D+01
                16            17            18            19            20 
      1  -0.702032D+00 -0.160568D+01  0.138410D+01 -0.127723D+01 -0.337026D+01
      2  -0.160568D+01 -0.271329D+01 -0.159563D+01 -0.337026D+01  0.413500D+00
      3   0.138410D+01 -0.159563D+01  0.187598D+01  0.268488D+00 -0.121950D+01
                21            22            23            24            25 
      1   0.268488D+00 -0.373336D+01  0.401139D+00 -0.144526D+01 -0.441532D+00
      2  -0.121950D+01  0.401139D+00  0.349009D+01  0.194012D+01 -0.118482D+01
      3   0.450620D+01 -0.144526D+01  0.194012D+01 -0.244613D+01  0.548454D+01
                26            27            28            29            30 
      1  -0.118482D+01  0.548454D+01  0.932489D+00  0.185092D+01  0.140969D+01
      2   0.918568D+00 -0.321867D+01  0.185092D+01 -0.278584D+00  0.718651D-01
      3  -0.321867D+01 -0.115281D+01  0.140969D+01  0.718651D-01 -0.330672D+01
                31            32            33            34            35 
      1   0.255456D+01 -0.779899D+00 -0.167718D+00  0.144321D+00  0.366484D+00
      2  -0.779899D+00 -0.468845D+01  0.108454D+01  0.366484D+00  0.429216D+00
      3  -0.167718D+00  0.108454D+01  0.227686D+01 -0.354674D+01  0.180374D+01
                36            37            38            39            40 
      1  -0.354674D+01 -0.541202D+01  0.151383D+01 -0.126784D+01  0.269824D+01
      2   0.180374D+01  0.151383D+01  0.558373D+00 -0.100675D+01 -0.224910D+00
      3  -0.467167D+00 -0.126784D+01 -0.100675D+01  0.277851D+01 -0.106972D+01
                41            42            43            44            45 
      1  -0.224910D+00 -0.106972D+01  0.516992D+00 -0.797142D+00  0.141730D+01
      2  -0.927494D+00 -0.222688D+01 -0.797142D+00 -0.147354D+01 -0.166266D+01
      3  -0.222688D+01 -0.269096D+01  0.141730D+01 -0.166266D+01  0.157226D+01
                46            47            48            49            50 
      1   0.202805D+01 -0.442114D+01  0.300579D+01 -0.586294D+01  0.101868D+01
      2  -0.442114D+01  0.104354D+01  0.481955D+00  0.101868D+01  0.452254D+00
      3   0.300579D+01  0.481955D+00  0.420759D+00  0.461781D+00  0.360274D+01
                51            52            53            54            55 
      1   0.461781D+00  0.328820D+01 -0.285621D-01  0.216746D-01 -0.565248D+01
      2   0.360274D+01 -0.285621D-01  0.410102D+01  0.168850D+01 -0.258414D+01
      3   0.141070D+01  0.216746D-01  0.168850D+01 -0.333481D+01 -0.255173D+01
                56            57            58            59            60 
      1  -0.258414D+01 -0.255173D+01 -0.211809D+01 -0.188946D+01 -0.106501D+01
      2  -0.249744D+01 -0.150168D+01 -0.188946D+01 -0.196366D+01 -0.120067D+01
      3  -0.150168D+01 -0.234411D+01 -0.106501D+01 -0.120067D+01 -0.147109D+01
                61            62            63            64            65 
      1  -0.144829D+01 -0.892882D+00 -0.146685D+01  0.189528D+01 -0.116931D+01
      2  -0.892882D+00 -0.890151D+00 -0.129392D+01 -0.116931D+01  0.139591D+01
      3  -0.146685D+01 -0.129392D+01 -0.185906D+01 -0.230916D+01  0.129136D+01
                66            67            68            69            70 
      1  -0.230916D+01 -0.697267D+00  0.649573D+00  0.373073D+00 -0.177403D+01
      2   0.129136D+01  0.649573D+00 -0.100197D+01 -0.139227D+01  0.598152D+00
      3   0.369632D+01  0.373073D+00 -0.139227D+01 -0.158646D+01  0.211804D+01
                71            72            73            74            75 
      1   0.598152D+00  0.211804D+01  0.405172D+01 -0.332182D+01  0.250620D+00
      2  -0.170266D+01 -0.225624D+01 -0.332182D+01  0.325518D+01  0.263907D+00
      3  -0.225624D+01 -0.612310D+01  0.250620D+00  0.263907D+00  0.904992D+00
                76            77            78            79            80 
      1  -0.319288D+01  0.164754D+01  0.198037D+00 -0.525007D-01  0.160621D+00
      2   0.164754D+01 -0.329548D+01  0.222111D+00  0.160621D+00  0.218501D+00
      3   0.198037D+00  0.222111D+00 -0.364124D+00  0.633457D+00 -0.546059D+00
                81            82            83            84            85 
      1   0.633457D+00 -0.307518D+01 -0.181818D+01  0.861007D+00 -0.174198D+01
      2  -0.546059D+00 -0.181818D+01 -0.323437D+01  0.918156D+00 -0.222358D+01
      3  -0.168889D+00  0.861007D+00  0.918156D+00 -0.139463D+01  0.606874D+00
                86            87            88            89            90 
      1  -0.222358D+01  0.606874D+00  0.982811D+00  0.101140D+01 -0.102513D+01
      2  -0.489884D+01  0.157978D+01  0.101140D+01  0.231545D+01 -0.123659D+01
      3   0.157978D+01 -0.106413D+01 -0.102513D+01 -0.123659D+01  0.128638D+01
                91            92            93            94            95 
      1  -0.994938D+00  0.527806D+01 -0.200980D+01  0.626469D+01 -0.584518D+00
      2   0.527806D+01 -0.118767D+01  0.832552D+00 -0.584518D+00 -0.333630D+01
      3  -0.200980D+01  0.832552D+00 -0.412385D+01  0.984804D+00 -0.324622D+01
                96            97            98            99           100 
      1   0.984804D+00 -0.150283D+01  0.639554D+00 -0.388586D+01 -0.315681D+01
      2  -0.324622D+01  0.639554D+00 -0.279685D+01  0.990252D+00  0.175110D+01
      3   0.128954D+01 -0.388586D+01  0.990252D+00  0.444062D+01 -0.263296D+01
               101           102           103           104           105 
      1   0.175110D+01 -0.263296D+01  0.188155D+01 -0.136865D+01  0.124446D+01
      2  -0.136711D+01  0.124525D+01 -0.136865D+01  0.186283D+01 -0.220635D+01
      3   0.124525D+01 -0.327857D+01  0.124446D+01 -0.220635D+01  0.248607D+01
               106           107           108           109           110 
      1  -0.206341D+01  0.865207D+00 -0.291028D+01  0.355474D+00  0.887409D+00
      2   0.865207D+00 -0.174963D+01  0.214644D+01  0.887409D+00  0.415095D+00
      3  -0.291028D+01  0.214644D+01 -0.551937D+01 -0.315578D+00 -0.128899D+00
               111           112           113           114           115 
      1  -0.315578D+00  0.144530D+01  0.853396D+00 -0.212492D+00 -0.105723D+00
      2  -0.128899D+00  0.853396D+00  0.764414D+01 -0.197977D+01 -0.105719D+00
      3   0.344253D+00 -0.212492D+00 -0.197977D+01  0.169691D+01  0.461913D+00
               116           117           118           119           120 
      1  -0.105719D+00  0.461913D+00  0.341300D+01 -0.512659D+00 -0.224738D+01
      2  -0.989974D+00  0.108578D+01 -0.512659D+00  0.571994D+00  0.101385D+00
      3   0.108578D+01 -0.808186D+00 -0.224738D+01  0.101385D+00  0.281228D+01
               121           122           123           124           125 
      1  -0.169474D+01  0.565927D+00  0.786961D+00 -0.272743D+01  0.313066D-01
      2   0.565927D+00 -0.107238D+00 -0.937104D+00  0.313066D-01 -0.927401D+00
      3   0.786961D+00 -0.937104D+00 -0.167667D+01  0.254874D+01 -0.428611D+00
               126           127           128           129           130 
      1   0.254874D+01  0.145443D+01  0.915431D+00  0.984098D+00  0.254857D+01
      2  -0.428611D+00  0.915431D+00  0.189590D+00  0.326369D+00  0.329520D-01
      3  -0.455848D+01  0.984098D+00  0.326369D+00  0.286333D+00  0.408876D+00
               131           132           133           134           135 
      1   0.329520D-01  0.408876D+00  0.140145D+01  0.434868D+00  0.196013D+00
      2   0.305141D+01  0.165997D+01  0.434868D+00  0.175305D+01  0.159080D+01
      3   0.165997D+01  0.208661D+01  0.196013D+00  0.159080D+01  0.233654D+01
               136           137           138           139           140 
      1   0.131213D+01 -0.162917D+01  0.594650D+00 -0.468354D+01  0.677370D+00
      2  -0.162917D+01 -0.117474D+01 -0.150396D+00  0.677370D+00 -0.189127D+01
      3   0.594650D+00 -0.150396D+00 -0.153940D+01  0.128919D-01  0.613404D+00
               141           142           143           144           145 
      1   0.128919D-01  0.745806D+00 -0.153109D+00 -0.420700D+00 -0.130531D+00
      2   0.613404D+00 -0.153109D+00  0.216723D+00 -0.655155D+00  0.437858D+01
      3  -0.368448D+00 -0.420700D+00 -0.655155D+00  0.333834D+00 -0.317997D+01
               146           147           148           149           150 
      1   0.437858D+01 -0.317997D+01  0.449287D+01 -0.244168D+00 -0.203448D+00
      2  -0.209648D+00 -0.180224D+00 -0.244168D+00 -0.137002D+01 -0.391778D+01
      3  -0.180224D+00 -0.232972D+00 -0.203448D+00 -0.391778D+01 -0.155207D+01
               151           152           153           154           155 
      1  -0.284416D+01 -0.428326D-01  0.179729D-01 -0.931343D-01 -0.394170D+01
      2  -0.428326D-01 -0.316771D+01 -0.163123D+01 -0.394170D+01  0.637991D+00
      3   0.179729D-01 -0.163123D+01  0.268058D+01  0.207432D+01 -0.669827D+00
               156           157           158           159           160 
      1   0.207432D+01 -0.453815D+01  0.985342D+00 -0.899529D+00  0.244428D+01
      2  -0.669827D+00  0.985342D+00  0.408292D+01  0.223964D+01 -0.857001D+00
      3   0.274971D+01 -0.899529D+00  0.223964D+01 -0.733022D+00  0.372165D+01
               161           162           163           164           165 
      1  -0.857001D+00  0.372165D+01 -0.385881D+00 -0.472860D+01  0.161896D+01
      2   0.226475D+01 -0.663008D+00 -0.472860D+01  0.316163D+00 -0.980647D+00
      3  -0.663008D+00 -0.437649D+01  0.161896D+01 -0.980647D+00  0.227455D+01
               166           167           168           169           170 
      1  -0.443659D+01 -0.122155D+00 -0.103828D+01  0.181988D+01 -0.113107D+01
      2  -0.122155D+00  0.225335D+01  0.270745D+01 -0.113107D+01  0.288928D+01
      3  -0.103828D+01  0.270745D+01 -0.360123D+00  0.284517D+01 -0.115780D+01
               171           172           173           174           175 
      1   0.284517D+01  0.447501D+01 -0.228734D+01  0.235465D+01 -0.244168D+01
      2  -0.115780D+01 -0.228734D+01  0.198849D+01 -0.138582D+01  0.163427D+01
      3  -0.508183D+01  0.235465D+01 -0.138582D+01  0.298455D+01 -0.110826D+01
               176           177           178           179           180 
      1   0.163427D+01 -0.110826D+01  0.127821D+01 -0.661087D+00  0.154627D+01
      2  -0.222682D+01  0.192191D+01 -0.661087D+00  0.102589D+01 -0.949731D+00
      3   0.192191D+01 -0.179975D+01  0.154627D+01 -0.949731D+00  0.165348D+01
               181           182           183           184           185 
      1  -0.403318D+01 -0.216455D+01  0.221477D+01 -0.231897D+01 -0.151342D+01
      2  -0.216455D+01 -0.187957D+01  0.133138D+01 -0.151342D+01 -0.211086D+01
      3   0.221477D+01  0.133138D+01 -0.296406D+01  0.106141D+01  0.182566D+01
               186           187           188           189           190 
      1   0.106141D+01  0.147814D+01  0.709299D+00 -0.156187D+01  0.178499D+00
      2   0.182566D+01  0.709299D+00  0.104646D+01 -0.912309D+00  0.203441D+00
      3  -0.187697D+01 -0.156187D+01 -0.912309D+00  0.178597D+01  0.997317D+00
               191           192           193           194           195 
      1   0.203441D+00  0.997317D+00  0.735256D+00  0.401591D-01  0.178779D+00
      2   0.642287D-01  0.125285D+00  0.401591D-01  0.392843D+01  0.261326D+01
      3   0.125285D+00  0.287517D+00  0.178779D+00  0.261326D+01  0.428979D+01
               196           197           198           199           200 
      1   0.800523D+00  0.743327D-01  0.772600D-01 -0.467458D-01 -0.862767D+00
      2   0.743327D-01  0.186520D+01  0.214107D+01 -0.862767D+00 -0.101387D+01
      3   0.772600D-01  0.214107D+01  0.379170D+01 -0.774477D+00 -0.492559D-01
               201           202           203           204           205 
      1  -0.774477D+00 -0.238123D+01 -0.170823D+01  0.107334D+00 -0.145266D+01
      2  -0.492559D-01 -0.170823D+01 -0.585482D+01 -0.104281D+01 -0.947586D-01
      3  -0.108888D+00  0.107334D+00 -0.104281D+01 -0.113068D+01 -0.179949D+00
               206           207           208           209           210 
      1  -0.947586D-01 -0.179949D+00 -0.689448D+01  0.187215D+01 -0.198805D+01
      2  -0.113527D+01 -0.835683D+00  0.187215D+01 -0.119818D+01  0.509026D+00
      3  -0.835683D+00 -0.472552D+00 -0.198805D+01  0.509026D+00 -0.155178D+01
               211           212           213           214           215 
      1   0.387834D+01 -0.171896D+01  0.866520D+00 -0.394236D+01  0.911469D+00
      2  -0.171896D+01  0.122728D+01 -0.859625D+00  0.911469D+00 -0.115919D+01
      3   0.866520D+00 -0.859625D+00  0.100837D+01 -0.227760D+01  0.700322D+00
               216           217           218           219           220 
      1  -0.227760D+01 -0.225413D+01  0.278028D+00  0.157538D+01  0.816447D+00
      2   0.700322D+00  0.278028D+00 -0.359059D+00  0.132933D+00 -0.640059D+00
      3  -0.130668D+01  0.157538D+01  0.132933D+00 -0.182566D+01 -0.520284D-01
               221           222           223           224           225 
      1  -0.640059D+00 -0.520284D-01  0.358242D+01  0.249575D+00 -0.343048D+01
      2  -0.259746D+00  0.612811D+00  0.249575D+00  0.900913D+00 -0.280164D-01
      3   0.612811D+00  0.311750D+00 -0.343048D+01 -0.280164D-01  0.639475D+01
               226           227           228           229           230 
      1   0.489749D+01  0.152116D+01 -0.492238D+00  0.136060D+01  0.190703D+01
      2   0.152116D+01  0.315253D+01  0.389518D+00  0.190703D+01  0.325534D+01
      3  -0.492238D+00  0.389518D+00  0.703650D+00  0.743303D-01 -0.151057D+00
               231           232           233           234           235 
      1   0.743303D-01 -0.482314D+00  0.163096D+00  0.323234D+00 -0.116538D+01
      2  -0.151057D+00  0.163096D+00 -0.708511D+00  0.557176D+00  0.983916D+00
      3   0.606701D+00  0.323234D+00  0.557176D+00  0.329405D+00  0.108578D+01
               236           237           238           239           240 
      1   0.983916D+00  0.108578D+01  0.413967D+00 -0.330104D+00  0.263053D-02
      2  -0.663361D+00 -0.335827D+00 -0.330104D+00  0.323232D+00  0.731994D+00
      3  -0.335827D+00 -0.151916D+01  0.263053D-02  0.731994D+00  0.535301D+00
               241           242           243           244           245 
      1   0.163819D+01 -0.774380D+00 -0.213951D+01 -0.473181D+01  0.352904D+01
      2  -0.774380D+00  0.210070D+01  0.214246D+01  0.352904D+01 -0.354311D+01
      3  -0.213951D+01  0.214246D+01  0.719745D+01 -0.113453D+01  0.725293D+00
               246           247           248           249           250 
      1  -0.113453D+01  0.258091D+01 -0.248103D+01  0.668787D+00 -0.223424D+01
      2   0.725293D+00 -0.248103D+01  0.360331D+01 -0.113072D+01  0.160497D+01
      3  -0.133516D+01  0.668787D+00 -0.113072D+01  0.712316D+00 -0.143702D+01
               251           252           253           254           255 
      1   0.160497D+01 -0.143702D+01  0.357206D+01  0.158557D+01 -0.366197D+00
      2  -0.254971D+01  0.122459D+01  0.158557D+01  0.101071D+01 -0.122944D+00
      3   0.122459D+01 -0.836388D+00 -0.366197D+00 -0.122944D+00  0.609669D+00
               256           257           258           259           260 
      1  -0.163941D+01 -0.212125D+01 -0.109945D+00 -0.104550D+00  0.227623D+00
      2  -0.212125D+01 -0.510661D+01  0.308500D+00  0.227623D+00  0.440926D+00
      3  -0.109945D+00  0.308500D+00 -0.600142D+00  0.795331D+00 -0.793184D+00
               261           262           263           264           265 
      1   0.795331D+00 -0.217948D+01 -0.412107D+01  0.361937D+00 -0.543860D+01
      2  -0.793184D+00 -0.412107D+01  0.848242D-01  0.189464D+00 -0.123874D+01
      3   0.424966D+00  0.361937D+00  0.189464D+00  0.311773D+00  0.177704D+00
               266           267           268           269           270 
      1  -0.123874D+01  0.177704D+00  0.601705D+00  0.216942D+00 -0.102458D+01
      2   0.295119D+01  0.384759D+00  0.216942D+00  0.567385D+00  0.445487D+01
      3   0.384759D+00  0.374413D+01 -0.102458D+01  0.445487D+01 -0.100536D+01
               271           272           273           274           275 
      1   0.149671D+01  0.236352D+01 -0.242155D+00  0.834571D+01  0.336962D+01
      2   0.236352D+01  0.115469D+01  0.284852D-01  0.336962D+01  0.103559D+02
      3  -0.242155D+00  0.284852D-01  0.163057D+00  0.867137D-01 -0.489637D+00
               276           277           278           279           280 
      1   0.867137D-01 -0.602017D+00 -0.150617D+00  0.113274D+01  0.850183D+00
      2  -0.489637D+00 -0.150617D+00 -0.636186D+00  0.239404D+01 -0.901995D-01
      3   0.196644D+01  0.113274D+01  0.239404D+01 -0.627594D+00  0.793596D+00
               281           282           283           284           285 
      1  -0.901995D-01  0.793596D+00 -0.145346D+01  0.136860D+01 -0.583282D+00
      2  -0.408746D-01 -0.102815D+00  0.136860D+01 -0.343591D+01  0.184087D+01
      3  -0.102815D+00  0.146284D+00 -0.583282D+00  0.184087D+01 -0.251004D+01
               286           287           288           289           290 
      1   0.259930D+01 -0.110694D+01  0.149108D+01  0.892096D+01  0.176460D+01
      2  -0.110694D+01  0.259447D+01 -0.282547D+01  0.176460D+01  0.138481D+01
      3   0.149108D+01 -0.282547D+01  0.479030D+01 -0.216909D+00 -0.518415D-01
               291           292           293           294           295 
      1  -0.216909D+00  0.423834D+01  0.150933D+01 -0.670501D-01 -0.516880D+00
      2  -0.518415D-01  0.150933D+01  0.136182D+01 -0.114209D+00 -0.542831D-01
      3   0.113128D+01 -0.670501D-01 -0.114209D+00  0.369151D+00  0.114575D+01
               296           297           298           299           300 
      1  -0.542831D-01  0.114575D+01  0.678168D+00 -0.160041D+00 -0.700119D+00
      2  -0.172555D+00 -0.100870D+00 -0.160041D+00 -0.166465D+00  0.216908D-01
      3  -0.100870D+00 -0.677174D-01 -0.700119D+00  0.216908D-01 -0.462344D-03
               301           302           303           304           305 
      1  -0.172609D+01  0.148484D+01  0.402086D+00 -0.232733D+01  0.968594D+00
      2   0.148484D+01 -0.443758D+01 -0.200422D+01  0.968594D+00 -0.288447D+01
      3   0.402086D+00 -0.200422D+01 -0.249095D+01  0.110644D+01 -0.275446D+01
               306 
      1   0.110644D+01
      2  -0.275446D+01
      3  -0.345626D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.248260D+01 -0.115800D+01 -0.628889D+01 -0.136712D+01  0.949907D+01
      2   0.167032D+01  0.718199D+01  0.162859D+02  0.580619D+01  0.166417D+01
      3   0.814636D-01 -0.602209D+01 -0.544852D+01 -0.159679D+01 -0.751192D+01
                 6             7             8             9            10 
      1   0.287717D+01 -0.597940D+01  0.771002D+01 -0.775107D+01 -0.979097D+00
      2  -0.192050D+01  0.828656D+01 -0.330495D+01 -0.917452D+01  0.175392D+01
      3  -0.854233D-01 -0.328075D+01 -0.458184D+00  0.916199D+01  0.461925D+01
                11            12            13            14            15 
      1  -0.434028D+01  0.509780D+01 -0.455402D+01 -0.741506D+01 -0.946572D+01
      2  -0.628537D+00  0.257858D+01 -0.344643D+00  0.183656D+01  0.206190D+01
      3  -0.113380D+02  0.126336D+01 -0.743836D+01 -0.960639D+00  0.262365D+01
                16            17            18            19            20 
      1   0.367287D+01 -0.225704D+01  0.634613D+01  0.621941D+01  0.281982D+00
      2  -0.203669D+01  0.133380D+01 -0.506143D+00 -0.598304D+01 -0.326821D+01
      3   0.245891D-01  0.210638D+01 -0.520846D+01 -0.737419D+01 -0.429605D+01
                21            22            23            24            25 
      1   0.604131D+00  0.152617D+01 -0.893905D+01 -0.498862D+01  0.713712D-01
      2  -0.390542D+01 -0.391255D+01 -0.253113D+01  0.157194D+01 -0.127409D+02
      3  -0.273421D+01  0.238557D+01  0.595394D+01  0.138635D+01 -0.211064D+01
                26            27            28            29            30 
      1   0.146077D+01  0.639384D+01 -0.756574D+01  0.665248D-01  0.408964D+01
      2   0.290991D+01  0.115143D+02  0.424656D+01  0.369220D+01  0.477453D+01
      3   0.114361D+01 -0.278960D+01  0.250546D+01  0.165561D+01  0.412807D+01
                31            32            33            34            35 
      1  -0.606993D+00  0.916914D+01 -0.760028D+01  0.538555D+01 -0.977729D+00
      2   0.667199D+01 -0.102659D+01 -0.484201D+00 -0.892027D+00 -0.173604D+00
      3   0.791131D+01  0.280182D+01 -0.136800D+01  0.395364D+01 -0.605370D+00
                36            37            38            39            40 
      1  -0.155912D+01  0.943946D+00  0.833417D+00 -0.180616D+01 -0.872394D+00
      2  -0.643898D+01  0.448808D+01 -0.242549D+01  0.142907D+01 -0.408134D+01
      3  -0.369173D+01 -0.306378D+01  0.364727D+01  0.775364D+00  0.670724D+01
                41            42            43            44            45 
      1   0.123583D+01 -0.213595D+01 -0.445166D+01  0.149943D+01 -0.397187D+01
      2  -0.137600D+01 -0.172379D+01 -0.446730D+01 -0.211995D+01  0.153137D+01
      3   0.713913D+00  0.115414D+01 -0.755622D+00 -0.174132D+00  0.115698D+01
                46            47            48            49            50 
      1  -0.250944D+01  0.408912D+00 -0.287300D+00  0.175692D+01  0.363844D+01
      2  -0.201276D+01  0.380308D+01  0.725810D+00  0.378048D+01 -0.320270D+01
      3  -0.273046D+01  0.207310D+00 -0.161566D+01  0.765308D+01 -0.154674D+01
                51            52            53            54            55 
      1   0.131095D+01  0.249585D+00  0.922331D+01  0.812389D+00  0.233545D+01
      2  -0.193068D+00 -0.878024D+01 -0.276975D+00  0.166086D+01 -0.101824D+02
      3   0.181783D+01 -0.183235D+01  0.357219D+01  0.122790D+01  0.686815D+01
                56            57            58            59            60 
      1   0.440554D+01 -0.172717D+01  0.273164D+01  0.218727D+01 -0.129252D+01
      2  -0.291265D+01  0.392521D+00 -0.353232D+01 -0.248648D+01  0.477773D+00
      3  -0.186505D+01  0.132510D+01  0.217193D+01 -0.785022D+00 -0.127578D+00
                61            62            63            64            65 
      1  -0.672630D+00  0.105565D+01  0.349618D+00 -0.755206D+00 -0.271008D+01
      2  -0.167879D+01  0.527649D-01  0.346247D+00  0.879311D+01 -0.407350D+01
      3   0.955086D+00 -0.589683D+00  0.253718D+00 -0.570436D+01  0.196990D+01
                66            67            68            69            70 
      1   0.394028D+01 -0.712504D+00 -0.169476D+00 -0.103381D+01  0.232511D+01
      2  -0.856949D+01 -0.242611D+01  0.348500D+01  0.274637D+01 -0.904160D+01
      3   0.524668D+01  0.312946D+01 -0.187158D+01 -0.287695D+01  0.438347D+01
                71            72            73            74            75 
      1   0.285085D+01 -0.474353D+01  0.102802D+01  0.271711D+00  0.370451D+01
      2   0.410052D+01  0.120282D+02  0.630392D+00 -0.201672D+00  0.999494D+00
      3  -0.243612D+01 -0.671375D+01 -0.142028D+02  0.839575D+01 -0.719299D+00
                76            77            78            79            80 
      1  -0.301595D+00  0.108032D+01 -0.200924D+01  0.138005D+01  0.226447D+00
      2  -0.344946D+00  0.216935D+00 -0.941729D+00 -0.167402D+01  0.268444D+00
      3   0.112105D+02 -0.497410D+01 -0.212239D+00  0.502364D+00 -0.461002D+00
                81            82            83            84            85 
      1  -0.442200D+00  0.199992D+01  0.193868D+01 -0.484214D+01  0.178307D+01
      2  -0.132070D+00 -0.231259D+00 -0.531148D+00  0.215683D+01  0.133178D+00
      3  -0.170568D+01  0.898593D+01 -0.654275D+00 -0.166197D+01  0.352485D+01
                86            87            88            89            90 
      1   0.365427D+01 -0.443659D+01 -0.232204D+01 -0.107130D+01  0.433998D+01
      2  -0.808368D+00  0.177282D+01 -0.522249D+00  0.110111D+01 -0.129402D+01
      3   0.467612D+00 -0.604817D+00 -0.252619D+01  0.649467D-01  0.129648D+01
                91            92            93            94            95 
      1   0.193439D+01 -0.209113D+00  0.137925D+01  0.331105D+00  0.732336D+00
      2   0.279557D+01 -0.206725D+01  0.122665D+02 -0.301986D+01  0.650798D+01
      3   0.134707D+02 -0.327425D+01  0.637185D+00  0.797435D+01 -0.920020D+01
                96            97            98            99           100 
      1  -0.497926D+01  0.148911D+01  0.258444D+01 -0.396362D+01 -0.210521D+01
      2  -0.165366D+01  0.420771D+01 -0.152720D+01 -0.113711D+02 -0.260138D+01
      3  -0.672642D+01  0.101499D+01 -0.588915D+01 -0.253713D+00  0.581532D+00
               101           102           103           104           105 
      1   0.315045D+01  0.135263D+00  0.174754D+01 -0.313360D+01  0.107100D+01
      2   0.120366D+01  0.265591D+01  0.246887D+01  0.105571D+01 -0.244239D+01
      3  -0.294397D+01  0.718545D+00  0.270357D+00  0.276811D+01 -0.292494D+01
               106           107           108           109           110 
      1  -0.423315D+00  0.482268D+01 -0.834265D+00 -0.148754D+01 -0.650246D+00
      2  -0.192804D+01 -0.140770D+01  0.399635D+01 -0.219790D+00  0.138754D+01
      3  -0.539058D+00 -0.314964D+01  0.198434D+01  0.668993D+00  0.372152D+00
               111           112           113           114           115 
      1  -0.396414D+00 -0.107073D+01 -0.121123D+02 -0.147603D+01 -0.166418D+00
      2   0.399892D-01  0.296022D+01  0.241725D+01  0.390841D+00 -0.155695D+01
      3  -0.356122D+00  0.537182D+01 -0.137092D+01 -0.159108D+00 -0.599504D+00
               116           117           118           119           120 
      1   0.786409D+00 -0.915890D+00  0.383436D+01 -0.218209D+01 -0.323580D+01
      2  -0.575709D-01  0.114116D+01  0.734828D+01 -0.919695D+00 -0.113997D+01
      3  -0.323001D+00  0.491673D+00  0.405523D+01 -0.232533D+01 -0.325024D+01
               121           122           123           124           125 
      1  -0.170523D+01  0.195862D+01  0.275353D+01 -0.255318D+01  0.426666D+01
      2  -0.424798D+01  0.937471D+00  0.112091D+00 -0.602162D+01 -0.290496D+00
      3  -0.855436D+00  0.163439D+01  0.127495D+01 -0.322787D+01  0.154655D+01
               126           127           128           129           130 
      1   0.563522D+01  0.720646D+00 -0.107998D-01 -0.707794D+00  0.185978D+00
      2   0.279097D+01  0.301761D+00  0.705894D-01  0.448090D+00 -0.163968D+01
      3   0.355958D+01 -0.240539D+00  0.101635D+01  0.431712D+00  0.676860D+01
               131           132           133           134           135 
      1   0.601803D+00 -0.228614D+01  0.632416D+00  0.103732D+01 -0.187573D+01
      2   0.182973D+01  0.186346D+01 -0.324877D+01  0.926513D+00  0.241046D+01
      3  -0.226846D+01 -0.105193D+01  0.191273D+01 -0.963345D+00 -0.165147D+00
               136           137           138           139           140 
      1  -0.263470D+00  0.118635D+00 -0.509247D+00  0.241406D+00 -0.152907D+01
      2  -0.618016D+00 -0.814458D+00  0.692969D+01  0.191035D+01  0.570661D+00
      3   0.987103D+01 -0.885583D+01  0.145301D+01  0.922275D+01  0.438313D+01
               141           142           143           144           145 
      1  -0.332502D+01  0.609527D+00  0.114263D+01  0.358894D+00  0.934776D+01
      2  -0.139472D+01 -0.732964D+01 -0.241287D+01  0.614584D+00  0.184816D+01
      3  -0.734742D+00 -0.444500D+00  0.737965D-01  0.200368D+01  0.282678D+01
               146           147           148           149           150 
      1  -0.215025D+00 -0.790192D-01 -0.596163D+00 -0.752540D+01 -0.169446D+02
      2  -0.122760D+02  0.140580D+02 -0.117092D+02  0.252418D+01  0.605127D+00
      3  -0.598402D+01  0.342848D+01 -0.226795D+01 -0.345127D+00 -0.175456D+01
               151           152           153           154           155 
      1  -0.562413D+00 -0.911787D+01 -0.301104D+01 -0.955609D+00  0.815014D-01
      2   0.581199D+01  0.141851D+01 -0.188701D+01 -0.835871D+01  0.378206D+01
      3   0.212907D+01 -0.200591D+01 -0.997008D+00 -0.157459D+02  0.224054D+01
               156           157           158           159           160 
      1   0.387321D+00  0.589125D+00  0.271367D+01 -0.851666D+00  0.109687D+01
      2  -0.973930D+01  0.506796D+01 -0.946231D+01  0.252429D+01 -0.194706D+02
      3  -0.288356D+01  0.889844D+01  0.184319D+02  0.896089D+01 -0.404264D+01
               161           162           163           164           165 
      1   0.293029D+01 -0.855481D+00 -0.804805D+01  0.240647D+01 -0.585673D+01
      2   0.198188D+01  0.166449D+02 -0.309748D+01  0.681826D+01 -0.419626D+01
      3   0.909959D+01 -0.233495D+01 -0.130369D+02 -0.151503D+02  0.103077D+01
               166           167           168           169           170 
      1   0.212828D+01 -0.608213D+01  0.129850D+01 -0.806739D+01  0.889282D+01
      2   0.597848D+01 -0.564368D+01  0.150346D+01 -0.994692D+01  0.378513D+01
      3  -0.991650D+01  0.340873D+01  0.383810D+01  0.154975D+01  0.383778D+01
               171           172           173           174           175 
      1   0.131691D+02 -0.463845D+01  0.523776D+01 -0.528696D-01  0.361541D+01
      2   0.104379D+02 -0.151552D+02  0.688210D+01 -0.570982D+01  0.814261D+01
      3   0.318953D+01 -0.683391D+01  0.148667D+01 -0.271302D+01  0.473957D+01
               176           177           178           179           180 
      1  -0.454264D+01  0.166429D+01 -0.773782D+00  0.317738D+01 -0.963268D+00
      2  -0.552674D+01  0.319367D+01 -0.578581D+01  0.280202D+01 -0.450582D+01
      3  -0.190777D+01  0.198588D+01 -0.172151D+01  0.660343D+00 -0.201305D+01
               181           182           183           184           185 
      1  -0.412563D+01 -0.516145D+01 -0.180205D+00 -0.329973D+01 -0.412448D+01
      2   0.113066D+02  0.466247D+01 -0.113808D+01  0.626591D+01  0.260999D+01
      3   0.327306D+01 -0.125515D+01 -0.563196D+00  0.224521D+01 -0.103148D+01
               186           187           188           189           190 
      1   0.143249D+01  0.805827D+00  0.330716D+01 -0.110995D+01  0.125585D+01
      2  -0.581914D+00 -0.400005D+01 -0.145331D+01  0.217067D+01 -0.860662D+00
      3   0.472452D+00 -0.793924D+00  0.687796D+00  0.653970D+00  0.203097D+00
               191           192           193           194           195 
      1  -0.216101D+00  0.430039D+00 -0.176392D+00  0.156457D+02  0.806628D+01
      2  -0.727567D+00 -0.176811D+01 -0.376817D+01 -0.131387D+01 -0.272645D+01
      3  -0.565398D+00 -0.526316D+00  0.163512D+01  0.198971D+01  0.151346D+01
               196           197           198           199           200 
      1   0.267277D+00  0.878254D+01  0.794267D+01 -0.108336D+01 -0.114122D+00
      2  -0.365087D+01 -0.151966D+01 -0.273838D+01  0.342231D+01  0.375600D+00
      3   0.215857D+00  0.120906D+01  0.119443D+01 -0.401315D+01 -0.343923D+01
               201           202           203           204           205 
      1   0.110715D+00  0.483604D-01 -0.273677D+01 -0.362428D+01  0.757967D+00
      2   0.278272D+00 -0.499861D+00  0.488540D+01  0.563641D+01 -0.139720D+01
      3   0.755148D+00 -0.102133D+01 -0.247357D+02 -0.526319D+01  0.176111D+01
               206           207           208           209           210 
      1  -0.424378D+00 -0.143544D+01  0.875552D-01  0.483093D+00  0.300005D+00
      2   0.377350D+01  0.319350D+01  0.882605D+01 -0.271567D+01  0.879961D+01
      3  -0.545894D+01 -0.413340D+01  0.790955D+01 -0.745349D+01  0.275396D+01
               211           212           213           214           215 
      1  -0.249366D+00 -0.454496D+00 -0.101185D+01 -0.119221D+00  0.109528D+01
      2  -0.382123D+01  0.375551D+01 -0.516921D+01  0.771058D+01 -0.286440D+01
      3  -0.492155D+01  0.556615D+01 -0.342033D+01  0.360973D+01 -0.593680D+01
               216           217           218           219           220 
      1   0.374115D+00  0.520272D+00 -0.735546D+00 -0.680957D+00 -0.152711D+00
      2   0.640753D+01 -0.460896D+01 -0.558668D+00  0.749493D+01 -0.366255D+00
      3   0.295037D+01  0.149807D+01 -0.234184D+01 -0.331430D-01 -0.124286D+01
               221           222           223           224           225 
      1   0.953972D-01 -0.503652D+00 -0.542304D+00  0.299457D+01  0.178874D+01
      2  -0.186789D+01 -0.103536D+01  0.821185D+01 -0.372804D-02 -0.250885D+02
      3  -0.100402D+01  0.188149D+01  0.478803D+00  0.472957D+01  0.214697D+00
               226           227           228           229           230 
      1   0.317686D+01  0.127375D+01 -0.331151D+01  0.176060D+01  0.260860D+01
      2  -0.374312D+01 -0.184951D+01  0.431538D+00 -0.131246D+01 -0.118927D+01
      3   0.209775D+02  0.852588D+01 -0.136568D+01  0.940564D+01  0.105893D+02
               231           232           233           234           235 
      1  -0.296980D+01 -0.151814D+01 -0.615058D+00  0.905687D-01 -0.158456D+01
      2  -0.262798D+00 -0.121887D+01 -0.952281D+00 -0.742100D+00 -0.111713D+01
      3  -0.492909D+00 -0.158100D+01 -0.972971D+00  0.219526D+01  0.193721D-01
               236           237           238           239           240 
      1  -0.216234D+00  0.347299D+01  0.102934D+00 -0.160878D+01 -0.163703D+01
      2   0.117111D+00  0.341987D+01 -0.457224D+00 -0.146212D+01 -0.895096D+00
      3  -0.406825D+00  0.132685D+01  0.113236D+01 -0.126238D+00  0.124317D+01
               241           242           243           244           245 
      1   0.422001D+01  0.230018D+00 -0.169329D+02  0.522485D+01 -0.351515D+01
      2   0.592435D+00 -0.396419D+01 -0.151974D+02  0.480567D+01 -0.366092D+01
      3   0.270925D+01  0.396065D+01  0.329348D+00 -0.368087D+01 -0.245587D+01
               246           247           248           249           250 
      1   0.513350D+01 -0.338291D+01  0.463506D+01 -0.410720D+01  0.409388D+01
      2   0.554193D+01 -0.296592D+01  0.405111D+01 -0.292590D+01  0.329837D+01
      3  -0.129616D+01  0.255469D+01  0.302931D+01 -0.716034D+00 -0.237775D+01
               251           252           253           254           255 
      1  -0.289953D+01  0.335504D+01 -0.255262D+00 -0.132265D+00 -0.116179D+01
      2  -0.344796D+01  0.334762D+01 -0.275548D+01 -0.112899D+01 -0.104177D+02
      3  -0.320904D+01 -0.384290D+00 -0.975347D+01  0.232023D-01  0.827203D+00
               256           257           258           259           260 
      1   0.414393D+00  0.151597D+01  0.714767D+01  0.628812D+00  0.956182D+01
      2  -0.191543D+01  0.193844D+01 -0.708148D+01 -0.188673D+02 -0.139939D+01
      3   0.237971D+01  0.216881D+02 -0.165299D+01  0.193582D+01 -0.225237D+01
               261           262           263           264           265 
      1  -0.174591D+01 -0.126559D+00  0.375956D+00  0.158329D+01  0.224781D-01
      2   0.173783D+01  0.174525D+01  0.152717D+01  0.550630D+01  0.181246D+01
      3   0.255425D+01  0.201909D+02 -0.739318D+00 -0.118882D+01  0.138044D+02
               266           267           268           269           270 
      1   0.824498D+00  0.169851D+01 -0.306086D+01  0.721265D+01 -0.554055D+00
      2   0.184420D+01  0.161117D+02 -0.802078D+01  0.214201D+02 -0.461784D+01
      3  -0.119232D+02 -0.184484D+01 -0.128009D+01 -0.285547D+01 -0.196483D+02
               271           272           273           274           275 
      1   0.539310D+00  0.352187D+00  0.706931D+00  0.207746D+00 -0.518717D-01
      2  -0.974187D+00  0.318233D-01  0.641501D+01  0.469381D+00 -0.239509D+01
      3  -0.818744D+01 -0.619513D+01 -0.432454D+00  0.268154D+01 -0.371296D+02
               276           277           278           279           280 
      1  -0.963915D+01 -0.162397D+00  0.335679D+00  0.107784D+01  0.444282D+00
      2   0.108365D+02  0.465251D+01  0.753783D+01 -0.295650D+01  0.318819D+01
      3   0.198179D+01 -0.923541D+00  0.259668D+01 -0.752896D+01  0.149532D+00
               281           282           283           284           285 
      1  -0.148593D+00 -0.641201D-01 -0.611412D+00  0.909791D+00 -0.335482D+01
      2  -0.309037D+00  0.737885D+00 -0.191090D+01  0.820996D+01 -0.110719D+02
      3  -0.506231D+00 -0.344721D+00 -0.321721D+01  0.137530D+02 -0.759398D+01
               286           287           288           289           290 
      1   0.106163D+01 -0.746029D+00  0.466741D+01 -0.896968D-01  0.134205D-01
      2   0.419479D+01 -0.124441D+02  0.210215D+02 -0.191856D+01 -0.495583D+00
      3   0.167555D+01 -0.106783D+02  0.116551D+02 -0.138818D+02 -0.973483D+01
               291           292           293           294           295 
      1   0.328521D+00  0.683866D-01 -0.317694D-01 -0.763326D+00  0.733479D+00
      2   0.694859D+01 -0.707099D+00 -0.672558D+00  0.219899D+01  0.368434D+01
      3   0.468886D+00 -0.777223D+01 -0.761850D+01  0.565241D+00  0.553087D+00
               296           297           298           299           300 
      1   0.471459D+00 -0.272532D-01 -0.557406D+00  0.151004D-01 -0.216055D+00
      2  -0.505293D+00 -0.491088D+00 -0.311067D+01 -0.176024D+00  0.340209D+00
      3   0.903402D+00 -0.627079D-01  0.628986D+00  0.232572D+00  0.766202D+00
               301           302           303           304           305 
      1   0.776314D+00 -0.204402D+01 -0.395481D+01  0.958714D+00 -0.152003D+01
      2   0.151511D+01 -0.937548D+01 -0.111032D+02  0.331578D+01 -0.123538D+02
      3  -0.321791D+01  0.181996D+02  0.853587D+01 -0.132797D+01  0.122271D+02
               306 
      1  -0.421238D+01
      2  -0.154788D+02
      3   0.115575D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.796402D+00 -0.101475D+02 -0.191615D+02 -0.789905D+01 -0.100981D+02
      2   0.668954D+01  0.359291D+01 -0.390170D+01  0.400963D+01  0.105172D+02
      3  -0.589314D+01  0.655458D+01  0.230632D+02  0.388942D+01 -0.419024D+00
      4  -0.150095D+02 -0.954632D+01 -0.122790D+02 -0.836288D+01  0.568329D+01
      5  -0.163456D+02 -0.140295D+02 -0.850571D+01 -0.113616D+02 -0.956353D+00
      6  -0.205102D+02 -0.645698D+01  0.501432D+01 -0.491860D+01  0.829254D+01
                 6             7             8             9            10 
      1   0.180514D+01 -0.143412D+02  0.282320D+01  0.145166D+02  0.675426D+01
      2   0.795376D+01 -0.300132D+01  0.611729D+01 -0.705466D+01 -0.179757D+02
      3  -0.975890D+01  0.173425D+02 -0.894049D+01 -0.746193D+01  0.112215D+02
      4  -0.710706D+00 -0.726023D+01  0.972253D-01  0.259001D+00  0.121591D+01
      5  -0.639263D+01 -0.167733D+01 -0.463010D+01  0.107623D+02  0.408186D+01
      6  -0.494241D+01  0.482820D+01 -0.691062D+01 -0.816253D+01  0.502278D+01
                11            12            13            14            15 
      1   0.994647D+00 -0.107568D-01 -0.551225D+00 -0.165156D+01 -0.507763D+01
      2  -0.357229D+01  0.822295D+01 -0.239729D+01 -0.143696D+01  0.109452D+02
      3   0.257764D+01 -0.821219D+01  0.294851D+01  0.308852D+01 -0.586757D+01
      4  -0.172851D+02  0.584408D+01 -0.128460D+02 -0.213352D+01  0.933957D+01
      5   0.474458D+01 -0.425312D+01  0.427187D+01  0.734359D+01  0.367965D+01
      6   0.782180D+01 -0.594475D+01  0.591192D+01  0.956432D+01  0.195948D+01
                16            17            18            19            20 
      1  -0.192322D+01 -0.594570D+01 -0.433520D+01  0.368195D+00  0.496040D+01
      2   0.813203D+01  0.142053D+02  0.100744D+02 -0.566236D+00 -0.532574D+01
      3  -0.620881D+01 -0.825956D+01 -0.573923D+01  0.198041D+00  0.365335D+00
      4   0.375400D+01  0.999727D+01 -0.330707D+01  0.833518D+01 -0.391354D+01
      5  -0.383361D+01  0.712190D+00 -0.498794D+01  0.289217D+00  0.105098D+02
      6  -0.497931D+01  0.214889D+01 -0.343259D+01  0.108244D+02  0.296753D+00
                21            22            23            24            25 
      1   0.728331D+01  0.529947D+01  0.422979D+01 -0.806338D+00  0.936088D+01
      2   0.966858D+01 -0.618412D+01  0.642964D+00 -0.891445D+01  0.554402D+01
      3  -0.169519D+02  0.884653D+00 -0.487275D+01  0.972078D+01 -0.149049D+02
      4   0.744379D+01 -0.395655D+01 -0.700414D+01 -0.855001D+01  0.618667D+01
      5  -0.142423D+02  0.100954D+02 -0.923612D+01  0.115495D+02 -0.180942D+02
      6   0.926985D+01 -0.217135D+01 -0.864561D+01 -0.756214D+01  0.784826D+01
                26            27            28            29            30 
      1  -0.157344D+01 -0.158425D+02 -0.495923D+00  0.153707D+01 -0.892926D+01
      2  -0.551266D+01  0.884346D+01  0.797659D+01 -0.275570D+01 -0.671305D+01
      3   0.708610D+01  0.699907D+01 -0.748067D+01  0.121863D+01  0.156423D+02
      4  -0.559712D+01  0.132159D+02  0.177222D+01  0.196911D+01 -0.403785D+00
      5   0.126242D+02 -0.745470D+01 -0.120296D+01 -0.427031D+01 -0.636033D+01
      6  -0.467970D+01  0.834341D+01 -0.723049D+01  0.388743D+00 -0.297595D+01
                31            32            33            34            35 
      1   0.816080D+00  0.121399D+02  0.205274D+01 -0.102209D+02  0.274791D+01
      2  -0.403633D+01 -0.186757D+02  0.100395D+02 -0.481463D+01  0.452066D+01
      3   0.322025D+01  0.653588D+01 -0.120923D+02  0.150355D+02 -0.726857D+01
      4   0.213055D+01  0.284090D+00  0.130444D+01 -0.151823D+01 -0.910929D-01
      5  -0.556035D+01  0.554164D+01  0.215445D+01 -0.304615D+01 -0.281674D+00
      6   0.219336D+01  0.175924D+02 -0.119755D+01 -0.416617D+01  0.164705D+01
                36            37            38            39            40 
      1  -0.303479D+01 -0.326175D+02  0.241926D+01  0.978398D+00  0.113252D+02
      2   0.419902D+01  0.167578D+02 -0.258465D+01  0.192623D+00 -0.402156D+01
      3  -0.116423D+01  0.158597D+02  0.165384D+00 -0.117102D+01 -0.730365D+01
      4  -0.332918D+01 -0.288054D+01 -0.851314D+01  0.120006D+01 -0.282100D+01
      5   0.871994D+01  0.311600D+00  0.216822D+01 -0.816139D+01  0.330855D+01
      6  -0.697785D+01  0.414563D+01 -0.147997D+01 -0.537840D+00 -0.221760D+01
                41            42            43            44            45 
      1   0.319252D+01 -0.111324D+01  0.300547D+01 -0.245826D+01  0.815863D+01
      2  -0.361734D+00 -0.201576D+01 -0.311433D+00  0.146880D+01 -0.263016D+01
      3  -0.283078D+01  0.312900D+01 -0.269404D+01  0.989458D+00 -0.552847D+01
      4   0.236543D+00 -0.199701D+01  0.118885D+01 -0.115528D+00 -0.771528D+00
      5  -0.243791D+01 -0.226767D+01 -0.317347D+01 -0.196088D+01 -0.235030D+01
      6  -0.519401D+01 -0.782384D+01  0.471228D+00 -0.570503D+01 -0.398289D+00
                46            47            48            49            50 
      1  -0.163476D+02  0.677765D+01 -0.265976D+01  0.114522D+02 -0.576289D+01
      2   0.266839D+01 -0.333681D-01 -0.249229D-01 -0.482976D+01 -0.479354D+01
      3   0.136792D+02 -0.674429D+01  0.268468D+01 -0.662244D+01  0.105564D+02
      4   0.104250D+02 -0.137153D+01 -0.143500D+01 -0.742240D+00  0.133025D+00
      5  -0.303699D+01 -0.464536D+01  0.414154D+01 -0.420341D+01 -0.468347D+01
      6  -0.783184D+01  0.703321D+00  0.981143D+00  0.992923D+00 -0.578185D+01
                51            52            53            54            55 
      1   0.503873D+01 -0.598251D+01  0.743323D+01 -0.675385D+00  0.207274D+02
      2  -0.886291D+01  0.116398D+01 -0.120107D+02  0.112706D-01 -0.121527D+02
      3   0.382418D+01  0.481854D+01  0.457744D+01  0.664114D+00 -0.857474D+01
      4  -0.655118D+01  0.113375D+01 -0.878844D+01  0.103216D+01  0.249661D+02
      5  -0.338516D+00  0.187098D+01 -0.169161D+01  0.620047D+01  0.276587D+02
      6   0.498470D+01  0.194875D+00  0.140430D+01  0.329181D+01  0.161283D+02
                56            57            58            59            60 
      1   0.355647D+01  0.379444D+01  0.385764D+01  0.105814D+01 -0.128252D+01
      2   0.776479D+00 -0.613651D+01  0.983989D+00  0.365555D+01 -0.511627D+00
      3  -0.433295D+01  0.234207D+01 -0.484163D+01 -0.471369D+01  0.179415D+01
      4   0.174614D+02  0.130158D+02  0.150399D+02  0.133401D+02  0.786181D+01
      5   0.142686D+02  0.201038D+02  0.107216D+02  0.102888D+02  0.841404D+01
      6   0.137490D+02  0.121651D+02  0.997120D+01  0.107345D+02  0.100542D+02
                61            62            63            64            65 
      1   0.204162D+01 -0.116195D+01 -0.140568D+00 -0.736065D+01  0.859739D+01
      2  -0.412426D+01 -0.192838D+01 -0.483647D+01 -0.217458D+01 -0.369273D+01
      3   0.208264D+01  0.309033D+01  0.497704D+01  0.953523D+01 -0.490465D+01
      4   0.709180D+01  0.561622D+01  0.798063D+01 -0.299863D+01  0.250147D+01
      5   0.135172D+02  0.750335D+01  0.119686D+02 -0.551469D+01  0.333523D+01
      6   0.722880D+01  0.824834D+01  0.102044D+02  0.945598D+01 -0.874144D+01
                66            67            68            69            70 
      1   0.161456D+02  0.421232D+01 -0.789535D+01 -0.774264D+01  0.103629D+02
      2   0.394949D+01 -0.264592D+01  0.295470D+01  0.186397D+01  0.203940D+01
      3  -0.200951D+02 -0.156640D+01  0.494065D+01  0.587867D+01 -0.124023D+02
      4   0.465793D+01  0.276063D+01 -0.114393D+01  0.872343D-01  0.412591D+01
      5   0.674344D+01  0.258064D+01 -0.113762D+01  0.387111D+00  0.642348D+01
      6  -0.138256D+02 -0.411571D+01  0.786877D+01  0.127167D+02 -0.696915D+01
                71            72            73            74            75 
      1  -0.103712D+02 -0.270161D+02 -0.706006D+01  0.932005D+01  0.112717D+01
      2   0.551201D+00 -0.920153D+01  0.162530D+02 -0.181107D+02 -0.867451D+00
      3   0.982000D+01  0.362176D+02 -0.919292D+01  0.879065D+01 -0.259719D+00
      4   0.445830D+00 -0.170246D+01 -0.137089D+02  0.114508D+02 -0.110869D+01
      5   0.827115D+00 -0.150486D+01 -0.201305D+01  0.767797D+00  0.105642D+01
      6   0.143975D+02  0.234795D+02 -0.246959D-01 -0.190621D+01 -0.465646D+01
                76            77            78            79            80 
      1   0.232637D+01 -0.108219D+02 -0.952445D-01  0.158543D+00 -0.100186D+00
      2  -0.931169D+01  0.202475D+02 -0.158811D+01 -0.802005D+00 -0.102342D+01
      3   0.698532D+01 -0.942564D+01  0.168336D+01  0.643462D+00  0.112361D+01
      4   0.111259D+02 -0.715854D+01 -0.650801D+00 -0.628173D-01 -0.115493D+01
      5   0.616732D+00 -0.149850D+01 -0.530526D+00  0.234876D+01 -0.593710D+00
      6  -0.125252D+01  0.430391D+00  0.352570D+01 -0.336071D+01  0.494099D+01
                81            82            83            84            85 
      1  -0.201183D+01  0.862635D+01 -0.632495D+01 -0.322122D+00 -0.335912D+01
      2   0.134727D+01  0.438155D+01  0.170630D+02 -0.338830D+01  0.107590D+02
      3   0.664561D+00 -0.130079D+02 -0.107381D+02  0.371042D+01 -0.739991D+01
      4  -0.161422D+01  0.139001D+02  0.185545D+02 -0.600463D+01  0.145813D+02
      5   0.388315D+00 -0.435850D+01 -0.361646D+01  0.507882D+01 -0.248260D+01
      6   0.121654D+01 -0.428495D+01 -0.522541D+01  0.676901D+01 -0.361638D+01
                86            87            88            89            90 
      1  -0.100980D+02  0.329365D+01 -0.174089D-01  0.551259D+01 -0.275110D+01
      2   0.283506D+02 -0.801967D+01 -0.337038D+01 -0.118110D+02  0.404756D+01
      3  -0.182526D+02  0.472602D+01  0.338779D+01  0.629845D+01 -0.129646D+01
      4   0.207151D+02 -0.650540D+01 -0.607922D+01 -0.854816D+01  0.691617D+01
      5  -0.510770D+01  0.370808D+01  0.437450D+01  0.433163D+01 -0.458207D+01
      6  -0.862248D+01  0.706014D+01  0.525181D+01  0.901819D+01 -0.732412D+01
                91            92            93            94            95 
      1  -0.431823D+01 -0.247204D+02  0.626089D+01 -0.285634D+02  0.870508D+01
      2   0.909123D+01  0.115274D+02 -0.262193D+01  0.139393D+02 -0.822604D+01
      3  -0.477301D+01  0.131930D+02 -0.363896D+01  0.146241D+02 -0.479036D+00
      4  -0.242965D+02  0.659307D+01 -0.187115D+01  0.520318D+01  0.125084D+02
      5   0.369967D+01 -0.238191D+00  0.129472D+02 -0.137112D+01  0.880510D+01
      6   0.338473D+01 -0.436024D+00 -0.210611D+01 -0.405884D+00 -0.219323D+01
                96            97            98            99           100 
      1  -0.127367D+01  0.645544D+01  0.981409D+00  0.169450D+02  0.926326D+01
      2  -0.192120D+01 -0.176445D+01 -0.519082D+01 -0.603364D+01 -0.115764D+02
      3   0.319487D+01 -0.469099D+01  0.420941D+01 -0.109114D+02  0.231317D+01
      4   0.113608D+02 -0.268673D+01  0.115846D+02 -0.596569D+01 -0.103150D+02
      5  -0.460000D+01  0.151033D+02 -0.364980D+01 -0.157050D+02  0.198411D+02
      6  -0.713610D+00 -0.238635D+01  0.990764D+00  0.358366D+01 -0.829678D+01
               101           102           103           104           105 
      1  -0.287407D+01  0.192379D+01 -0.243976D+01 -0.312837D+01  0.375578D+01
      2   0.345835D+01 -0.109740D+02  0.316533D+01 -0.953766D+00  0.391127D+01
      3  -0.584283D+00  0.905022D+01 -0.725564D+00  0.408213D+01 -0.766704D+01
      4   0.892069D+01 -0.776371D+01  0.912354D+01 -0.915032D+01  0.943522D+01
      5  -0.973866D+01  0.227202D+02 -0.995702D+01  0.112429D+02 -0.123597D+02
      6   0.640420D+01 -0.808485D+01  0.699030D+01 -0.104853D+02  0.140611D+02
               106           107           108           109           110 
      1  -0.298606D+00  0.332266D+01 -0.771891D+01 -0.282881D+00 -0.747108D+00
      2  -0.937664D+01  0.421256D+01 -0.167029D+02  0.258243D+01  0.200528D+01
      3   0.967525D+01 -0.753522D+01  0.244218D+02 -0.229955D+01 -0.125817D+01
      4  -0.613114D+01  0.725115D+01 -0.997705D+01  0.740501D+00  0.519454D+01
      5   0.197495D+02 -0.106306D+02  0.278526D+02 -0.637011D+00 -0.217197D+01
      6  -0.712354D+01  0.114436D+02 -0.145070D+02 -0.285203D+01 -0.134916D+01
               111           112           113           114           115 
      1   0.106743D+01 -0.929841D+00 -0.246546D+02  0.931897D+01  0.247583D+01
      2   0.208905D+00  0.236591D+01  0.349412D+02 -0.703185D+01  0.178657D+00
      3  -0.127634D+01 -0.143607D+01 -0.102866D+02 -0.228712D+01 -0.265448D+01
      4  -0.126067D+01  0.559644D+01  0.146103D+01 -0.107919D+01 -0.399662D+00
      5   0.283486D+01 -0.361362D+01 -0.398838D+01  0.108974D+01  0.247540D+01
      6   0.113038D+01 -0.372807D+01 -0.264248D+02  0.126972D+02  0.166689D+01
               116           117           118           119           120 
      1   0.508149D+01 -0.508667D+01  0.203297D+01 -0.113058D+01  0.469838D+01
      2  -0.209981D+01  0.305505D+01 -0.968954D+01  0.157515D+01  0.749425D+01
      3  -0.298169D+01  0.203162D+01  0.765657D+01 -0.444572D+00 -0.121926D+02
      4   0.967235D-01  0.459122D+00  0.164567D+01  0.149415D+01 -0.146271D+01
      5   0.643692D+00 -0.162180D+01 -0.120191D+02  0.125748D+01  0.125656D+02
      6   0.902453D+01 -0.578758D+01  0.190241D+00 -0.271413D+01  0.208647D+01
               121           122           123           124           125 
      1  -0.311167D+00 -0.343031D+01 -0.346828D+01  0.332343D+01 -0.803332D-01
      2   0.297929D+01  0.821786D+00 -0.491867D+01  0.745168D+01 -0.267852D+01
      3  -0.266813D+01  0.260853D+01  0.838695D+01 -0.107751D+02  0.275885D+01
      4   0.110272D+01 -0.754715D+00 -0.101280D+01 -0.163573D+01 -0.115950D+01
      5   0.456120D+01 -0.276280D+01 -0.407914D+01  0.117238D+02 -0.307380D+00
      6  -0.226554D+01  0.482932D+00  0.409246D+01  0.210404D+01  0.456645D+01
               126           127           128           129           130 
      1  -0.124603D+02  0.752031D+01  0.507802D+00  0.902814D+00  0.356867D+01
      2  -0.131408D+02 -0.245061D+01  0.121803D+00 -0.370344D+00 -0.182064D+01
      3   0.256011D+02 -0.506970D+01 -0.629604D+00 -0.532470D+00 -0.174803D+01
      4   0.174654D+01  0.271601D+00  0.322150D+01  0.193903D+01  0.506650D+01
      5  -0.132132D+02  0.147361D+01  0.157470D+01  0.281444D+01  0.232877D+01
      6  -0.190661D+01  0.272170D+01  0.107815D+01  0.170204D+01  0.112311D+01
               131           132           133           134           135 
      1  -0.835644D+01 -0.474270D+01  0.184479D+01 -0.394141D+01 -0.772591D+01
      2   0.984309D+01  0.411031D+01 -0.150346D+01  0.259793D+01  0.141780D+01
      3  -0.148665D+01  0.632385D+00 -0.341327D+00  0.134347D+01  0.630811D+01
      4   0.251888D+01  0.233829D+01  0.200061D+01  0.206497D+01  0.219298D+01
      5   0.230024D+01  0.252172D+01  0.349505D+01  0.251080D+01  0.391050D+01
      6   0.878182D+01  0.811682D+01  0.129948D+01  0.723261D+01  0.813548D+01
               136           137           138           139           140 
      1   0.252945D+02 -0.605242D+01  0.421448D+01 -0.203292D+02 -0.212565D+01
      2  -0.137457D+02  0.149030D+01 -0.199145D+01  0.104782D+02  0.443151D+01
      3  -0.115489D+02  0.456213D+01 -0.222303D+01  0.985099D+01 -0.230586D+01
      4  -0.639001D+01  0.149845D+02 -0.116160D+01  0.103899D+02 -0.524488D+01
      5   0.257488D+01 -0.106619D+01  0.141137D+02 -0.197540D+01  0.125669D+01
      6  -0.742169D+00 -0.549591D+00  0.661294D+00  0.133797D-02  0.171448D+00
               141           142           143           144           145 
      1   0.305721D+00  0.337207D+01  0.698331D+00 -0.449886D+01  0.107037D+02
      2   0.415500D+00 -0.102475D+01 -0.142351D+00  0.786104D+00 -0.160302D+01
      3  -0.721221D+00 -0.234732D+01 -0.555980D+00  0.371276D+01 -0.910063D+01
      4   0.140757D+01 -0.111959D+01 -0.279653D+00 -0.287622D+01 -0.661087D+01
      5   0.379316D+00  0.171172D+01 -0.157243D+01  0.563526D+00  0.415856D+01
      6   0.514779D+01  0.733668D+00  0.346224D+01 -0.854806D+00  0.244859D+02
               146           147           148           149           150 
      1  -0.606933D+01  0.458371D+01 -0.603559D+01  0.931205D+01  0.633040D+01
      2   0.316178D+01 -0.283812D+01  0.329512D+01  0.874506D+01  0.738092D+01
      3   0.290755D+01 -0.174559D+01  0.274046D+01 -0.180571D+02 -0.137113D+02
      4  -0.871135D+01  0.980631D+01 -0.834082D+01  0.188980D+01  0.533912D+01
      5   0.204049D+02 -0.158349D+02  0.199750D+02  0.414028D+01  0.167488D+01
      6  -0.132845D+01 -0.265994D+00 -0.133603D+01 -0.407973D+01 -0.200165D+02
               151           152           153           154           155 
      1   0.384147D+01  0.343169D+01 -0.746726D+01  0.361186D+00  0.297353D+02
      2  -0.169024D+01  0.816905D+01 -0.573111D+01  0.858141D+00 -0.151836D+02
      3  -0.215123D+01 -0.116007D+02  0.131984D+02 -0.121933D+01 -0.145517D+02
      4   0.581638D+01  0.458463D+01  0.136519D+01  0.293459D+02 -0.397442D+01
      5  -0.121739D+02  0.175228D+01 -0.374408D+01 -0.160248D+02  0.428907D+01
      6  -0.313153D+00 -0.142273D+02 -0.114177D+02 -0.112118D+01 -0.466331D+00
               156           157           158           159           160 
      1  -0.180058D+02  0.347365D+02 -0.678147D+01  0.800944D+01 -0.231902D+02
      2   0.585167D+01 -0.191917D+02 -0.996116D-01 -0.420575D+01  0.551152D+01
      3   0.121541D+02 -0.155448D+02  0.688108D+01 -0.380368D+01  0.176786D+02
      4   0.448623D+01 -0.763854D+01 -0.254882D+02 -0.144196D+02  0.678055D+01
      5  -0.193996D+02  0.733099D+01 -0.136811D+02  0.582267D+01 -0.292509D+02
      6  -0.240739D+00 -0.101264D+01  0.660053D+00  0.118070D+01  0.130321D+00
               161           162           163           164           165 
      1   0.730487D+01 -0.212307D+02  0.918226D+01  0.237766D+02 -0.808284D+01
      2  -0.393749D+01  0.182232D+02 -0.215988D+02 -0.117269D+02 -0.351027D+01
      3  -0.336738D+01  0.300749D+01  0.124166D+02 -0.120497D+02  0.115931D+02
      4  -0.147773D+02  0.492869D+01  0.195192D+02 -0.194717D+02  0.971419D+01
      5   0.499435D+01  0.312640D+02 -0.859540D+01  0.229842D+01 -0.848331D+01
      6   0.604426D+00  0.157241D+01  0.394178D+01 -0.616516D+01  0.781683D+01
               166           167           168           169           170 
      1   0.235478D+02 -0.948952D+01 -0.580472D+00 -0.103329D+02  0.152379D+01
      2  -0.119108D+02  0.855356D+01  0.967269D+01 -0.464898D+01  0.128410D+02
      3  -0.116369D+02  0.935966D+00 -0.909222D+01  0.149819D+02 -0.143647D+02
      4  -0.157606D+02 -0.748870D+01 -0.138153D+02  0.121675D+02 -0.164810D+02
      5   0.214560D+01 -0.113142D+02  0.194551D+01 -0.122010D+02  0.666410D+01
      6  -0.537995D+01  0.121926D+02  0.409937D+00  0.105986D+02 -0.365838D+01
               171           172           173           174           175 
      1  -0.400703D+01 -0.527175D+01  0.762402D+01 -0.118804D+02  0.592122D+01
      2   0.111945D+02 -0.821810D+00 -0.399865D+01 -0.351529D+01 -0.344608D+01
      3  -0.718746D+01  0.609356D+01 -0.362538D+01  0.153957D+02 -0.247514D+01
      4   0.121035D+02 -0.710495D+01  0.541922D+01 -0.440969D+01  0.592544D+01
      5   0.239643D+02  0.178302D+02 -0.969257D+01  0.115305D+02 -0.105701D+02
      6  -0.184177D+02 -0.138530D+02  0.123790D+02 -0.112346D+02  0.967836D+01
               176           177           178           179           180 
      1  -0.102862D+02  0.836996D+01 -0.562786D+01  0.459907D+01 -0.828302D+01
      2   0.572472D+01 -0.674065D+00 -0.233071D+01 -0.525267D-01 -0.280886D+01
      3   0.456146D+01 -0.769589D+01  0.795857D+01 -0.454655D+01  0.110919D+02
      4  -0.365504D+01  0.117947D+01 -0.240433D+01  0.104615D+01 -0.225794D+01
      5   0.527477D+01 -0.471491D+01  0.778901D+01 -0.349482D+01  0.707877D+01
      6  -0.132567D+02  0.138135D+02 -0.612081D+01  0.854269D+01 -0.786017D+01
               181           182           183           184           185 
      1   0.726840D+01 -0.637642D+00  0.464713D+01  0.995688D+00 -0.493902D+01
      2  -0.710043D+01  0.363323D+00  0.727550D+01 -0.226833D+00  0.275199D+01
      3  -0.167975D+00  0.274318D+00 -0.119226D+02 -0.768855D+00  0.218703D+01
      4   0.132538D+02  0.107621D+02 -0.808709D+01  0.101544D+02  0.951676D+01
      5  -0.229206D+02 -0.130334D+02  0.188059D+02 -0.131011D+02 -0.995273D+01
      6  -0.129117D+02 -0.115527D+02  0.108699D+02 -0.882268D+01 -0.124965D+02
               186           187           188           189           190 
      1   0.526636D+01  0.169199D+01  0.254032D+01 -0.367914D+01 -0.209574D+01
      2   0.109358D+01  0.453065D+01  0.103751D+01 -0.536611D+01 -0.147007D+01
      3  -0.635994D+01 -0.622264D+01 -0.357783D+01  0.904525D+01  0.356581D+01
      4  -0.642701D+01 -0.442602D+01 -0.388811D+01  0.514225D+01 -0.140685D+00
      5   0.910872D+01  0.126997D+02  0.612569D+01 -0.116895D+02 -0.756239D+00
      6   0.131508D+02  0.626670D+01  0.859291D+01 -0.760051D+01  0.556259D+00
               191           192           193           194           195 
      1  -0.461373D+00 -0.231533D+01 -0.107216D+01 -0.878678D+01 -0.142952D+02
      2  -0.421428D+00  0.193545D+00 -0.207224D+00 -0.351946D+01 -0.113013D+02
      3   0.882801D+00  0.212178D+01  0.127939D+01  0.123062D+02  0.255965D+02
      4   0.292686D+01 -0.107979D+00  0.277360D+01 -0.580146D+01 -0.316900D+01
      5   0.131097D+01  0.624857D+01  0.414409D+01 -0.276946D+01 -0.453916D+01
      6   0.613321D+00  0.613346D+00  0.543132D+00  0.209231D+02  0.153867D+02
               196           197           198           199           200 
      1  -0.151116D+01 -0.702788D+01 -0.134489D+02  0.104408D+01  0.470426D+01
      2   0.333173D+00 -0.685531D+01 -0.125079D+02  0.559401D+00  0.222722D+00
      3   0.117799D+01  0.138832D+02  0.259569D+02 -0.160348D+01 -0.492698D+01
      4  -0.389855D-01 -0.240389D+01 -0.290872D+01  0.539525D+01  0.107470D+02
      5   0.562206D+01 -0.244615D+01 -0.449721D+01  0.384579D+01  0.977725D+00
      6   0.358086D+00  0.123313D+02  0.120158D+02  0.120072D+01  0.112216D+00
               201           202           203           204           205 
      1   0.550246D+01  0.158905D+02  0.407110D+01 -0.185445D+01  0.110973D+02
      2  -0.177004D+01 -0.498610D+01  0.895492D+01  0.208323D+01 -0.391861D+01
      3  -0.373242D+01 -0.109044D+02 -0.130260D+02 -0.228784D+00 -0.717871D+01
      4   0.175145D+01  0.176822D+02  0.410480D+02  0.682569D+01  0.280311D+01
      5   0.278736D+01 -0.243502D+00  0.660816D+01  0.748802D+01  0.453357D+01
      6  -0.462279D-01 -0.619981D+00 -0.178372D+00  0.383636D+01 -0.441402D+00
               206           207           208           209           210 
      1  -0.512614D+00 -0.828405D+00  0.612837D+02 -0.153731D+02  0.169213D+02
      2   0.116460D+01 -0.656818D+00 -0.304754D+02  0.699582D+01 -0.877402D+01
      3  -0.651986D+00  0.148522D+01 -0.308083D+02  0.837730D+01 -0.814724D+01
      4   0.787266D+01  0.428985D+01 -0.163697D+02  0.120680D+02 -0.463719D+01
      5   0.498763D+01  0.151826D+01  0.180209D+02 -0.473830D+01  0.148934D+02
      6   0.311071D+01  0.196113D+01 -0.463414D+00  0.501358D+00 -0.345530D+00
               211           212           213           214           215 
      1  -0.303648D+02  0.113429D+02 -0.638219D+01  0.318712D+02 -0.653474D+01
      2   0.141730D+02 -0.293433D+01  0.326691D+01 -0.165489D+02  0.324993D+01
      3   0.161918D+02 -0.840861D+01  0.311528D+01 -0.153223D+02  0.328482D+01
      4   0.166351D+02 -0.114651D+02  0.700030D+01 -0.795752D+01  0.968728D+01
      5  -0.785512D+01  0.684772D+01 -0.877416D+01  0.210001D+02 -0.619033D+01
      6   0.127285D+01 -0.122079D+01  0.170971D+01 -0.119050D+01  0.188082D+01
               216           217           218           219           220 
      1   0.149101D+02  0.169794D+02 -0.222846D+01 -0.103279D+02 -0.576250D+01
      2  -0.103945D+02 -0.118210D+02  0.112998D+01  0.825868D+01  0.334288D+01
      3  -0.451566D+01 -0.515841D+01  0.109848D+01  0.206925D+01  0.241962D+01
      4  -0.574350D+01 -0.145465D+01  0.369867D+01 -0.134564D+01  0.590710D+01
      5   0.123196D+02 -0.144584D+02 -0.886616D+00  0.180491D+02  0.511743D+00
      6  -0.169456D+01 -0.515738D+00 -0.103461D+01  0.901215D+00 -0.193470D+01
               221           222           223           224           225 
      1   0.212307D+01 -0.268640D+00 -0.227460D+02 -0.187513D+01  0.125293D+02
      2  -0.131225D+01 -0.192634D+00  0.178528D+02  0.101982D+01 -0.213238D+02
      3  -0.810816D+00  0.461274D+00  0.489329D+01  0.855302D+00  0.879457D+01
      4   0.172109D+01 -0.481454D+01 -0.227670D+01 -0.744531D+01  0.332204D-01
      5  -0.445735D+01 -0.230373D+01  0.307729D+02 -0.117336D+00 -0.475311D+02
      6   0.292934D+00  0.383219D+01  0.102725D+01  0.433315D+01 -0.262187D+01
               226           227           228           229           230 
      1  -0.145980D+02 -0.179011D+02  0.758912D-01 -0.131019D+02 -0.173862D+02
      2   0.139641D+02  0.220728D+02  0.692484D+00  0.144470D+02  0.243572D+02
      3   0.633876D+00 -0.417177D+01 -0.768376D+00 -0.134504D+01 -0.697094D+01
      4   0.116803D+02  0.341910D+00 -0.259465D+01  0.453111D+01  0.393837D-01
      5   0.573215D+01  0.762928D+00 -0.507243D+00  0.143496D+01  0.274735D+01
      6  -0.612696D+00  0.401967D+01  0.411913D+01  0.184041D+01  0.185377D+01
               231           232           233           234           235 
      1  -0.271617D+00  0.210481D+01  0.814093D+00 -0.330274D+01  0.377633D+01
      2  -0.933252D+00 -0.129267D+00 -0.381229D+01  0.162455D+01 -0.207148D+01
      3   0.120487D+01 -0.197554D+01  0.299820D+01  0.167819D+01 -0.170485D+01
      4   0.769614D+00 -0.214088D+01  0.314309D+01 -0.344088D+00 -0.718401D+01
      5  -0.973777D+00  0.121402D+01 -0.146490D+01 -0.167608D+01 -0.778701D+01
      6   0.409324D+01  0.170621D+01  0.387919D+01  0.138067D+01  0.414191D+01
               236           237           238           239           240 
      1  -0.279180D+01 -0.340945D+01 -0.783464D+00 -0.159578D+01 -0.315965D+01
      2   0.125852D+00  0.488038D+01 -0.797900D+00  0.102967D+01  0.311558D+01
      3   0.266595D+01 -0.147093D+01  0.158136D+01  0.566119D+00  0.440683D-01
      4   0.732026D+01  0.466304D+01  0.424756D+01 -0.230961D+01 -0.332452D+01
      5   0.308686D+01  0.114397D+02  0.356024D+00 -0.342168D+01 -0.237825D+01
      6  -0.216507D+01 -0.628573D+01 -0.136481D+01  0.352700D+01  0.723498D+01
               241           242           243           244           245 
      1  -0.428090D+01 -0.547601D+01 -0.854236D+01  0.237578D+02 -0.111340D+02
      2   0.604624D+01  0.457979D+01 -0.117507D+02  0.651971D+00 -0.852142D+01
      3  -0.176535D+01  0.896220D+00  0.202931D+02 -0.244098D+02  0.196554D+02
      4   0.820566D+01 -0.102673D+02 -0.131243D+02 -0.342118D+02  0.313361D+02
      5   0.152913D+02 -0.103655D+02 -0.334440D+02  0.525248D+01 -0.296173D+01
      6  -0.918837D+01  0.142421D+02  0.288649D+02 -0.487810D+01  0.328079D+01
               246           247           248           249           250 
      1   0.574955D+01 -0.845664D+01  0.292958D+01 -0.683909D+00  0.100785D+02
      2   0.575406D+00 -0.651327D+01  0.156706D+02 -0.429947D+01  0.765286D+00
      3  -0.632496D+01  0.149699D+02 -0.186002D+02  0.498338D+01 -0.108438D+02
      4  -0.790156D+01  0.237408D+02 -0.268561D+02  0.780826D+01 -0.158448D+02
      5   0.807820D+01 -0.244559D+01  0.494618D+01 -0.403676D+01  0.874752D+01
      6  -0.716676D+01  0.339721D+01 -0.496812D+01  0.528091D+01 -0.737442D+01
               251           252           253           254           255 
      1  -0.194545D+01  0.346408D+01 -0.102828D+02  0.107225D+02 -0.188172D+01
      2  -0.885765D+01 -0.177052D-01  0.436111D+01 -0.249312D+01  0.119584D+01
      3   0.108031D+02 -0.344637D+01  0.592164D+01 -0.822940D+01  0.685876D+00
      4   0.173517D+02 -0.101630D+02  0.135481D+02 -0.133175D+02 -0.851201D+00
      5  -0.686039D+01  0.545643D+01 -0.159488D+01 -0.658257D+00 -0.161975D+02
      6   0.735159D+01 -0.535033D+01  0.358952D+00 -0.255233D+00  0.182258D+01
               256           257           258           259           260 
      1  -0.423497D+01 -0.116809D+01 -0.201876D+01 -0.299859D+00 -0.677159D+00
      2  -0.379544D+00 -0.113460D+02  0.265082D-02 -0.201407D-01  0.183583D+01
      3   0.461452D+01  0.125141D+02  0.201611D+01  0.319999D+00 -0.115867D+01
      4  -0.279434D+02 -0.419213D+02  0.217434D+01  0.221442D+01  0.363435D+01
      5   0.128624D+01  0.196709D+01 -0.112633D+02  0.572032D+01 -0.486078D+01
      6  -0.983514D+00  0.670667D+00 -0.891566D+01  0.102956D+01  0.388207D+01
               261           262           263           264           265 
      1  -0.226876D+01 -0.251670D+02 -0.348503D+02  0.353251D+01 -0.513865D+02
      2  -0.632286D+01  0.169857D+02  0.157647D+02 -0.221723D+01  0.248029D+02
      3   0.859162D+01  0.818130D+01  0.190856D+02 -0.131528D+01  0.265836D+02
      4  -0.466352D+01 -0.381697D+02  0.653708D+01  0.121521D+01 -0.587430D+01
      5   0.344943D+01  0.354540D+01  0.107819D+01  0.529759D+01  0.125249D+01
      6   0.206651D+01 -0.106186D+01 -0.441866D+00 -0.215875D+01 -0.164949D+00
               266           267           268           269           270 
      1  -0.409625D+01  0.202661D+01  0.543228D+01  0.199837D+01  0.475706D+01
      2   0.352242D+01 -0.342287D+01 -0.193400D+01 -0.400930D+01 -0.516194D+01
      3   0.573829D+00  0.139627D+01 -0.349828D+01  0.201093D+01  0.404882D+00
      4   0.193579D+02  0.317588D+01  0.154694D+01  0.438273D+01  0.351026D+02
      5   0.354999D+01  0.299402D+02 -0.768526D+01  0.371240D+02 -0.822651D+01
      6  -0.189910D+01 -0.101482D+02  0.511044D+01 -0.139049D+02  0.275003D+01
               271           272           273           274           275 
      1   0.166906D+02  0.120332D+02 -0.162804D+01  0.400316D+02 -0.111969D+02
      2  -0.545196D+01 -0.388558D+01  0.590001D+00 -0.125444D+02  0.329300D+02
      3  -0.112386D+02 -0.814761D+01  0.103804D+01 -0.274872D+02 -0.217331D+02
      4   0.184930D+02  0.203040D+02 -0.402714D+00  0.356001D+02  0.744394D+02
      5  -0.121099D+01 -0.358484D+00  0.102116D+02 -0.272077D+00 -0.298945D+01
      6  -0.246140D+00  0.157437D+00  0.583505D+00  0.937471D+00 -0.335365D+00
               276           277           278           279           280 
      1   0.184351D+01 -0.354874D+01  0.105257D+01 -0.759474D-01  0.689644D+01
      2  -0.963964D+00  0.172675D+01 -0.147972D+01  0.823258D+00 -0.420208D+01
      3  -0.879542D+00  0.182199D+01  0.427142D+00 -0.747310D+00 -0.269436D+01
      4  -0.302742D+01 -0.145812D+01 -0.431024D+01  0.163872D+02 -0.155434D+01
      5   0.171000D+02  0.133189D+02  0.154305D+02 -0.429553D+01  0.656720D+01
      6   0.148329D+02  0.338156D+01  0.114331D+02 -0.208091D+01 -0.290654D+01
               281           282           283           284           285 
      1  -0.213576D+01  0.721058D+01 -0.816077D+01  0.305757D+00  0.178413D+01
      2   0.117621D+01 -0.331897D+01  0.293188D+01  0.441565D+01 -0.200551D+01
      3   0.959547D+00 -0.389161D+01  0.522889D+01 -0.472140D+01  0.221388D+00
      4   0.218286D+01 -0.310816D+01  0.139407D+02 -0.275988D+02  0.148936D+02
      5  -0.256859D+01  0.421538D+01 -0.642065D+01  0.153432D+02 -0.210570D+02
      6   0.182574D+00 -0.195198D+00  0.298999D+01 -0.892058D+01  0.105075D+02
               286           287           288           289           290 
      1   0.183550D+02 -0.238322D+00 -0.222102D+01  0.966309D+02  0.188618D+02
      2  -0.102343D+02 -0.809423D+00 -0.479272D+01 -0.513645D+02 -0.108609D+02
      3  -0.812070D+01  0.104775D+01  0.701374D+01 -0.452664D+02 -0.800086D+01
      4  -0.122512D+02  0.211141D+02 -0.224324D+02  0.137863D+02  0.143947D+02
      5   0.166024D+02 -0.238578D+02  0.397515D+02 -0.150960D+01 -0.308995D+00
      6  -0.502891D+01  0.121345D+02 -0.142680D+02  0.819706D+00  0.325565D+00
               291           292           293           294           295 
      1  -0.236270D+01  0.412959D+02  0.146001D+02 -0.830456D+00 -0.510039D+01
      2   0.118336D+01 -0.219372D+02 -0.704037D+01  0.635685D+00  0.268141D+01
      3   0.117934D+01 -0.193587D+02 -0.755970D+01  0.194771D+00  0.241898D+01
      4  -0.352321D+00  0.160521D+02  0.137648D+02 -0.965923D+00 -0.417326D+00
      5   0.132219D+02 -0.450415D+00 -0.896157D+00  0.448728D+01  0.132695D+02
      6  -0.728309D+00  0.396625D+00  0.409155D+00  0.179153D+01 -0.195625D+00
               296           297           298           299           300 
      1  -0.761682D+00  0.916399D+01  0.568099D+01 -0.304549D+01 -0.665260D+01
      2   0.770518D+00 -0.558268D+01 -0.254316D+01  0.179134D+01  0.300507D+01
      3  -0.883539D-02 -0.358131D+01 -0.313783D+01  0.125416D+01  0.364753D+01
      4  -0.148880D+01 -0.275906D+00 -0.176687D+01  0.176344D+01  0.240206D+01
      5   0.847334D-01 -0.865899D+00 -0.565521D+01  0.173822D+01  0.217830D+01
      6   0.253020D+01 -0.170497D+00  0.296455D+01  0.254442D+00  0.293311D+00
               301           302           303           304           305 
      1  -0.102867D+02 -0.956034D+00 -0.298017D+01 -0.169466D+02 -0.910828D+00
      2   0.321822D+01  0.902904D+01  0.474565D+01  0.809614D+01  0.414297D+01
      3   0.706844D+01 -0.807300D+01 -0.176548D+01  0.885042D+01 -0.323214D+01
      4   0.155870D+02 -0.353559D+02 -0.160385D+02  0.110931D+02 -0.231744D+02
      5   0.496186D+01 -0.169127D+02 -0.208417D+02  0.123722D+02 -0.232127D+02
      6  -0.268700D+01  0.984404D+01  0.997465D+01 -0.427022D+01  0.117551D+02
               306 
      1  -0.254610D+01
      2  -0.384334D+00
      3   0.293043D+01
      4  -0.216982D+02
      5  -0.285365D+02
      6   0.115573D+02
 Leave Link  716 at Thu Jul 22 20:54:01 2021, MaxMem= 17179869184 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.160611D+03 -0.187265D+01 -0.757708D+00
      2  -0.187265D+01  0.136043D+03 -0.409959D+00
      3  -0.757708D+00 -0.409959D+00  0.130132D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.150819D+00  0.100343D+01  0.768180D+01
      2  -0.447078D+00 -0.438153D+01 -0.474064D+02
      3  -0.501174D+01  0.220014D+02  0.350759D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.103596D+02  0.460295D+01 -0.336220D+00
      2   0.977448D+01  0.457029D+01 -0.113360D+02
      3   0.585071D+00 -0.917324D+01  0.116722D+02
      4  -0.917378D+01 -0.491154D+02 -0.131362D+02
      5   0.756160D+01 -0.121479D+02 -0.990324D+02
      6  -0.542034D+01  0.162292D+01 -0.314030D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   102 ND12= 1 LenFil=    3675:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.255452D+01  0.284149D+01  0.326610D+01  0.233496D+01  0.693058D+00
      2   0.284149D+01  0.818558D+00  0.260730D+00  0.693058D+00 -0.313943D+01
      3   0.326610D+01  0.260730D+00 -0.351710D+01  0.634044D+00 -0.689358D-01
                 6             7             8             9            10 
      1   0.634044D+00  0.200207D+01  0.407394D+00 -0.316207D+01 -0.158274D+01
      2  -0.689358D-01  0.407394D+00  0.859564D-02  0.262523D+01  0.366473D+01
      3   0.251188D+01 -0.316207D+01  0.262523D+01  0.328545D+00 -0.128805D+01
                11            12            13            14            15 
      1   0.366473D+01 -0.128805D+01  0.350869D+01  0.350326D+00 -0.131607D+01
      2   0.357868D+00 -0.136019D+01  0.350326D+00  0.209000D+00 -0.292125D+01
      3  -0.136019D+01  0.193085D+01 -0.131607D+01 -0.292125D+01 -0.258077D+01
                16            17            18            19            20 
      1  -0.702032D+00 -0.160568D+01  0.138410D+01 -0.127723D+01 -0.337026D+01
      2  -0.160568D+01 -0.271329D+01 -0.159563D+01 -0.337026D+01  0.413500D+00
      3   0.138410D+01 -0.159563D+01  0.187598D+01  0.268488D+00 -0.121950D+01
                21            22            23            24            25 
      1   0.268488D+00 -0.373336D+01  0.401139D+00 -0.144526D+01 -0.441532D+00
      2  -0.121950D+01  0.401139D+00  0.349009D+01  0.194012D+01 -0.118482D+01
      3   0.450620D+01 -0.144526D+01  0.194012D+01 -0.244613D+01  0.548454D+01
                26            27            28            29            30 
      1  -0.118482D+01  0.548454D+01  0.932489D+00  0.185092D+01  0.140969D+01
      2   0.918568D+00 -0.321867D+01  0.185092D+01 -0.278584D+00  0.718651D-01
      3  -0.321867D+01 -0.115281D+01  0.140969D+01  0.718651D-01 -0.330672D+01
                31            32            33            34            35 
      1   0.255456D+01 -0.779899D+00 -0.167718D+00  0.144321D+00  0.366484D+00
      2  -0.779899D+00 -0.468845D+01  0.108454D+01  0.366484D+00  0.429216D+00
      3  -0.167718D+00  0.108454D+01  0.227686D+01 -0.354674D+01  0.180374D+01
                36            37            38            39            40 
      1  -0.354674D+01 -0.541202D+01  0.151383D+01 -0.126784D+01  0.269824D+01
      2   0.180374D+01  0.151383D+01  0.558373D+00 -0.100675D+01 -0.224910D+00
      3  -0.467167D+00 -0.126784D+01 -0.100675D+01  0.277851D+01 -0.106972D+01
                41            42            43            44            45 
      1  -0.224910D+00 -0.106972D+01  0.516992D+00 -0.797142D+00  0.141730D+01
      2  -0.927494D+00 -0.222688D+01 -0.797142D+00 -0.147354D+01 -0.166266D+01
      3  -0.222688D+01 -0.269096D+01  0.141730D+01 -0.166266D+01  0.157226D+01
                46            47            48            49            50 
      1   0.202805D+01 -0.442114D+01  0.300579D+01 -0.586294D+01  0.101868D+01
      2  -0.442114D+01  0.104354D+01  0.481955D+00  0.101868D+01  0.452254D+00
      3   0.300579D+01  0.481955D+00  0.420759D+00  0.461781D+00  0.360274D+01
                51            52            53            54            55 
      1   0.461781D+00  0.328820D+01 -0.285621D-01  0.216746D-01 -0.565248D+01
      2   0.360274D+01 -0.285621D-01  0.410102D+01  0.168850D+01 -0.258414D+01
      3   0.141070D+01  0.216746D-01  0.168850D+01 -0.333481D+01 -0.255173D+01
                56            57            58            59            60 
      1  -0.258414D+01 -0.255173D+01 -0.211809D+01 -0.188946D+01 -0.106501D+01
      2  -0.249744D+01 -0.150168D+01 -0.188946D+01 -0.196366D+01 -0.120067D+01
      3  -0.150168D+01 -0.234411D+01 -0.106501D+01 -0.120067D+01 -0.147109D+01
                61            62            63            64            65 
      1  -0.144829D+01 -0.892882D+00 -0.146685D+01  0.189528D+01 -0.116931D+01
      2  -0.892882D+00 -0.890151D+00 -0.129392D+01 -0.116931D+01  0.139591D+01
      3  -0.146685D+01 -0.129392D+01 -0.185906D+01 -0.230916D+01  0.129136D+01
                66            67            68            69            70 
      1  -0.230916D+01 -0.697267D+00  0.649573D+00  0.373073D+00 -0.177403D+01
      2   0.129136D+01  0.649573D+00 -0.100197D+01 -0.139227D+01  0.598152D+00
      3   0.369632D+01  0.373073D+00 -0.139227D+01 -0.158646D+01  0.211804D+01
                71            72            73            74            75 
      1   0.598152D+00  0.211804D+01  0.405172D+01 -0.332182D+01  0.250620D+00
      2  -0.170266D+01 -0.225624D+01 -0.332182D+01  0.325518D+01  0.263907D+00
      3  -0.225624D+01 -0.612310D+01  0.250620D+00  0.263907D+00  0.904992D+00
                76            77            78            79            80 
      1  -0.319288D+01  0.164754D+01  0.198037D+00 -0.525007D-01  0.160621D+00
      2   0.164754D+01 -0.329548D+01  0.222111D+00  0.160621D+00  0.218501D+00
      3   0.198037D+00  0.222111D+00 -0.364124D+00  0.633457D+00 -0.546059D+00
                81            82            83            84            85 
      1   0.633457D+00 -0.307518D+01 -0.181818D+01  0.861007D+00 -0.174198D+01
      2  -0.546059D+00 -0.181818D+01 -0.323437D+01  0.918156D+00 -0.222358D+01
      3  -0.168889D+00  0.861007D+00  0.918156D+00 -0.139463D+01  0.606874D+00
                86            87            88            89            90 
      1  -0.222358D+01  0.606874D+00  0.982811D+00  0.101140D+01 -0.102513D+01
      2  -0.489884D+01  0.157978D+01  0.101140D+01  0.231545D+01 -0.123659D+01
      3   0.157978D+01 -0.106413D+01 -0.102513D+01 -0.123659D+01  0.128638D+01
                91            92            93            94            95 
      1  -0.994938D+00  0.527806D+01 -0.200980D+01  0.626469D+01 -0.584518D+00
      2   0.527806D+01 -0.118767D+01  0.832552D+00 -0.584518D+00 -0.333630D+01
      3  -0.200980D+01  0.832552D+00 -0.412385D+01  0.984804D+00 -0.324622D+01
                96            97            98            99           100 
      1   0.984804D+00 -0.150283D+01  0.639554D+00 -0.388586D+01 -0.315681D+01
      2  -0.324622D+01  0.639554D+00 -0.279685D+01  0.990252D+00  0.175110D+01
      3   0.128954D+01 -0.388586D+01  0.990252D+00  0.444062D+01 -0.263296D+01
               101           102           103           104           105 
      1   0.175110D+01 -0.263296D+01  0.188155D+01 -0.136865D+01  0.124446D+01
      2  -0.136711D+01  0.124525D+01 -0.136865D+01  0.186283D+01 -0.220635D+01
      3   0.124525D+01 -0.327857D+01  0.124446D+01 -0.220635D+01  0.248607D+01
               106           107           108           109           110 
      1  -0.206341D+01  0.865207D+00 -0.291028D+01  0.355474D+00  0.887409D+00
      2   0.865207D+00 -0.174963D+01  0.214644D+01  0.887409D+00  0.415095D+00
      3  -0.291028D+01  0.214644D+01 -0.551937D+01 -0.315578D+00 -0.128899D+00
               111           112           113           114           115 
      1  -0.315578D+00  0.144530D+01  0.853396D+00 -0.212492D+00 -0.105723D+00
      2  -0.128899D+00  0.853396D+00  0.764414D+01 -0.197977D+01 -0.105719D+00
      3   0.344253D+00 -0.212492D+00 -0.197977D+01  0.169691D+01  0.461913D+00
               116           117           118           119           120 
      1  -0.105719D+00  0.461913D+00  0.341300D+01 -0.512659D+00 -0.224738D+01
      2  -0.989974D+00  0.108578D+01 -0.512659D+00  0.571994D+00  0.101385D+00
      3   0.108578D+01 -0.808186D+00 -0.224738D+01  0.101385D+00  0.281228D+01
               121           122           123           124           125 
      1  -0.169474D+01  0.565927D+00  0.786961D+00 -0.272743D+01  0.313066D-01
      2   0.565927D+00 -0.107238D+00 -0.937104D+00  0.313066D-01 -0.927401D+00
      3   0.786961D+00 -0.937104D+00 -0.167667D+01  0.254874D+01 -0.428611D+00
               126           127           128           129           130 
      1   0.254874D+01  0.145443D+01  0.915431D+00  0.984098D+00  0.254857D+01
      2  -0.428611D+00  0.915431D+00  0.189590D+00  0.326369D+00  0.329520D-01
      3  -0.455848D+01  0.984098D+00  0.326369D+00  0.286333D+00  0.408876D+00
               131           132           133           134           135 
      1   0.329520D-01  0.408876D+00  0.140145D+01  0.434868D+00  0.196013D+00
      2   0.305141D+01  0.165997D+01  0.434868D+00  0.175305D+01  0.159080D+01
      3   0.165997D+01  0.208661D+01  0.196013D+00  0.159080D+01  0.233654D+01
               136           137           138           139           140 
      1   0.131213D+01 -0.162917D+01  0.594650D+00 -0.468354D+01  0.677370D+00
      2  -0.162917D+01 -0.117474D+01 -0.150396D+00  0.677370D+00 -0.189127D+01
      3   0.594650D+00 -0.150396D+00 -0.153940D+01  0.128919D-01  0.613404D+00
               141           142           143           144           145 
      1   0.128919D-01  0.745806D+00 -0.153109D+00 -0.420700D+00 -0.130531D+00
      2   0.613404D+00 -0.153109D+00  0.216723D+00 -0.655155D+00  0.437858D+01
      3  -0.368448D+00 -0.420700D+00 -0.655155D+00  0.333834D+00 -0.317997D+01
               146           147           148           149           150 
      1   0.437858D+01 -0.317997D+01  0.449287D+01 -0.244168D+00 -0.203448D+00
      2  -0.209648D+00 -0.180224D+00 -0.244168D+00 -0.137002D+01 -0.391778D+01
      3  -0.180224D+00 -0.232972D+00 -0.203448D+00 -0.391778D+01 -0.155207D+01
               151           152           153           154           155 
      1  -0.284416D+01 -0.428326D-01  0.179729D-01 -0.931343D-01 -0.394170D+01
      2  -0.428326D-01 -0.316771D+01 -0.163123D+01 -0.394170D+01  0.637991D+00
      3   0.179729D-01 -0.163123D+01  0.268058D+01  0.207432D+01 -0.669827D+00
               156           157           158           159           160 
      1   0.207432D+01 -0.453815D+01  0.985342D+00 -0.899529D+00  0.244428D+01
      2  -0.669827D+00  0.985342D+00  0.408292D+01  0.223964D+01 -0.857001D+00
      3   0.274971D+01 -0.899529D+00  0.223964D+01 -0.733022D+00  0.372165D+01
               161           162           163           164           165 
      1  -0.857001D+00  0.372165D+01 -0.385881D+00 -0.472860D+01  0.161896D+01
      2   0.226475D+01 -0.663008D+00 -0.472860D+01  0.316163D+00 -0.980647D+00
      3  -0.663008D+00 -0.437649D+01  0.161896D+01 -0.980647D+00  0.227455D+01
               166           167           168           169           170 
      1  -0.443659D+01 -0.122155D+00 -0.103828D+01  0.181988D+01 -0.113107D+01
      2  -0.122155D+00  0.225335D+01  0.270745D+01 -0.113107D+01  0.288928D+01
      3  -0.103828D+01  0.270745D+01 -0.360123D+00  0.284517D+01 -0.115780D+01
               171           172           173           174           175 
      1   0.284517D+01  0.447501D+01 -0.228734D+01  0.235465D+01 -0.244168D+01
      2  -0.115780D+01 -0.228734D+01  0.198849D+01 -0.138582D+01  0.163427D+01
      3  -0.508183D+01  0.235465D+01 -0.138582D+01  0.298455D+01 -0.110826D+01
               176           177           178           179           180 
      1   0.163427D+01 -0.110826D+01  0.127821D+01 -0.661087D+00  0.154627D+01
      2  -0.222682D+01  0.192191D+01 -0.661087D+00  0.102589D+01 -0.949731D+00
      3   0.192191D+01 -0.179975D+01  0.154627D+01 -0.949731D+00  0.165348D+01
               181           182           183           184           185 
      1  -0.403318D+01 -0.216455D+01  0.221477D+01 -0.231897D+01 -0.151342D+01
      2  -0.216455D+01 -0.187957D+01  0.133138D+01 -0.151342D+01 -0.211086D+01
      3   0.221477D+01  0.133138D+01 -0.296406D+01  0.106141D+01  0.182566D+01
               186           187           188           189           190 
      1   0.106141D+01  0.147814D+01  0.709299D+00 -0.156187D+01  0.178499D+00
      2   0.182566D+01  0.709299D+00  0.104646D+01 -0.912309D+00  0.203441D+00
      3  -0.187697D+01 -0.156187D+01 -0.912309D+00  0.178597D+01  0.997317D+00
               191           192           193           194           195 
      1   0.203441D+00  0.997317D+00  0.735256D+00  0.401591D-01  0.178779D+00
      2   0.642287D-01  0.125285D+00  0.401591D-01  0.392843D+01  0.261326D+01
      3   0.125285D+00  0.287517D+00  0.178779D+00  0.261326D+01  0.428979D+01
               196           197           198           199           200 
      1   0.800523D+00  0.743327D-01  0.772600D-01 -0.467458D-01 -0.862767D+00
      2   0.743327D-01  0.186520D+01  0.214107D+01 -0.862767D+00 -0.101387D+01
      3   0.772600D-01  0.214107D+01  0.379170D+01 -0.774477D+00 -0.492559D-01
               201           202           203           204           205 
      1  -0.774477D+00 -0.238123D+01 -0.170823D+01  0.107334D+00 -0.145266D+01
      2  -0.492559D-01 -0.170823D+01 -0.585482D+01 -0.104281D+01 -0.947586D-01
      3  -0.108888D+00  0.107334D+00 -0.104281D+01 -0.113068D+01 -0.179949D+00
               206           207           208           209           210 
      1  -0.947586D-01 -0.179949D+00 -0.689448D+01  0.187215D+01 -0.198805D+01
      2  -0.113527D+01 -0.835683D+00  0.187215D+01 -0.119818D+01  0.509026D+00
      3  -0.835683D+00 -0.472552D+00 -0.198805D+01  0.509026D+00 -0.155178D+01
               211           212           213           214           215 
      1   0.387834D+01 -0.171896D+01  0.866520D+00 -0.394236D+01  0.911469D+00
      2  -0.171896D+01  0.122728D+01 -0.859625D+00  0.911469D+00 -0.115919D+01
      3   0.866520D+00 -0.859625D+00  0.100837D+01 -0.227760D+01  0.700322D+00
               216           217           218           219           220 
      1  -0.227760D+01 -0.225413D+01  0.278028D+00  0.157538D+01  0.816447D+00
      2   0.700322D+00  0.278028D+00 -0.359059D+00  0.132933D+00 -0.640059D+00
      3  -0.130668D+01  0.157538D+01  0.132933D+00 -0.182566D+01 -0.520284D-01
               221           222           223           224           225 
      1  -0.640059D+00 -0.520284D-01  0.358242D+01  0.249575D+00 -0.343048D+01
      2  -0.259746D+00  0.612811D+00  0.249575D+00  0.900913D+00 -0.280164D-01
      3   0.612811D+00  0.311750D+00 -0.343048D+01 -0.280164D-01  0.639475D+01
               226           227           228           229           230 
      1   0.489749D+01  0.152116D+01 -0.492238D+00  0.136060D+01  0.190703D+01
      2   0.152116D+01  0.315253D+01  0.389518D+00  0.190703D+01  0.325534D+01
      3  -0.492238D+00  0.389518D+00  0.703650D+00  0.743303D-01 -0.151057D+00
               231           232           233           234           235 
      1   0.743303D-01 -0.482314D+00  0.163096D+00  0.323234D+00 -0.116538D+01
      2  -0.151057D+00  0.163096D+00 -0.708511D+00  0.557176D+00  0.983916D+00
      3   0.606701D+00  0.323234D+00  0.557176D+00  0.329405D+00  0.108578D+01
               236           237           238           239           240 
      1   0.983916D+00  0.108578D+01  0.413967D+00 -0.330104D+00  0.263053D-02
      2  -0.663361D+00 -0.335827D+00 -0.330104D+00  0.323232D+00  0.731994D+00
      3  -0.335827D+00 -0.151916D+01  0.263053D-02  0.731994D+00  0.535301D+00
               241           242           243           244           245 
      1   0.163819D+01 -0.774380D+00 -0.213951D+01 -0.473181D+01  0.352904D+01
      2  -0.774380D+00  0.210070D+01  0.214246D+01  0.352904D+01 -0.354311D+01
      3  -0.213951D+01  0.214246D+01  0.719745D+01 -0.113453D+01  0.725293D+00
               246           247           248           249           250 
      1  -0.113453D+01  0.258091D+01 -0.248103D+01  0.668787D+00 -0.223424D+01
      2   0.725293D+00 -0.248103D+01  0.360331D+01 -0.113072D+01  0.160497D+01
      3  -0.133516D+01  0.668787D+00 -0.113072D+01  0.712316D+00 -0.143702D+01
               251           252           253           254           255 
      1   0.160497D+01 -0.143702D+01  0.357206D+01  0.158557D+01 -0.366197D+00
      2  -0.254971D+01  0.122459D+01  0.158557D+01  0.101071D+01 -0.122944D+00
      3   0.122459D+01 -0.836388D+00 -0.366197D+00 -0.122944D+00  0.609669D+00
               256           257           258           259           260 
      1  -0.163941D+01 -0.212125D+01 -0.109945D+00 -0.104550D+00  0.227623D+00
      2  -0.212125D+01 -0.510661D+01  0.308500D+00  0.227623D+00  0.440926D+00
      3  -0.109945D+00  0.308500D+00 -0.600142D+00  0.795331D+00 -0.793184D+00
               261           262           263           264           265 
      1   0.795331D+00 -0.217948D+01 -0.412107D+01  0.361937D+00 -0.543860D+01
      2  -0.793184D+00 -0.412107D+01  0.848242D-01  0.189464D+00 -0.123874D+01
      3   0.424966D+00  0.361937D+00  0.189464D+00  0.311773D+00  0.177704D+00
               266           267           268           269           270 
      1  -0.123874D+01  0.177704D+00  0.601705D+00  0.216942D+00 -0.102458D+01
      2   0.295119D+01  0.384759D+00  0.216942D+00  0.567385D+00  0.445487D+01
      3   0.384759D+00  0.374413D+01 -0.102458D+01  0.445487D+01 -0.100536D+01
               271           272           273           274           275 
      1   0.149671D+01  0.236352D+01 -0.242155D+00  0.834571D+01  0.336962D+01
      2   0.236352D+01  0.115469D+01  0.284852D-01  0.336962D+01  0.103559D+02
      3  -0.242155D+00  0.284852D-01  0.163057D+00  0.867137D-01 -0.489637D+00
               276           277           278           279           280 
      1   0.867137D-01 -0.602017D+00 -0.150617D+00  0.113274D+01  0.850183D+00
      2  -0.489637D+00 -0.150617D+00 -0.636186D+00  0.239404D+01 -0.901995D-01
      3   0.196644D+01  0.113274D+01  0.239404D+01 -0.627594D+00  0.793596D+00
               281           282           283           284           285 
      1  -0.901995D-01  0.793596D+00 -0.145346D+01  0.136860D+01 -0.583282D+00
      2  -0.408746D-01 -0.102815D+00  0.136860D+01 -0.343591D+01  0.184087D+01
      3  -0.102815D+00  0.146284D+00 -0.583282D+00  0.184087D+01 -0.251004D+01
               286           287           288           289           290 
      1   0.259930D+01 -0.110694D+01  0.149108D+01  0.892096D+01  0.176460D+01
      2  -0.110694D+01  0.259447D+01 -0.282547D+01  0.176460D+01  0.138481D+01
      3   0.149108D+01 -0.282547D+01  0.479030D+01 -0.216909D+00 -0.518415D-01
               291           292           293           294           295 
      1  -0.216909D+00  0.423834D+01  0.150933D+01 -0.670501D-01 -0.516880D+00
      2  -0.518415D-01  0.150933D+01  0.136182D+01 -0.114209D+00 -0.542831D-01
      3   0.113128D+01 -0.670501D-01 -0.114209D+00  0.369151D+00  0.114575D+01
               296           297           298           299           300 
      1  -0.542831D-01  0.114575D+01  0.678168D+00 -0.160041D+00 -0.700119D+00
      2  -0.172555D+00 -0.100870D+00 -0.160041D+00 -0.166465D+00  0.216908D-01
      3  -0.100870D+00 -0.677174D-01 -0.700119D+00  0.216908D-01 -0.462344D-03
               301           302           303           304           305 
      1  -0.172609D+01  0.148484D+01  0.402086D+00 -0.232733D+01  0.968594D+00
      2   0.148484D+01 -0.443758D+01 -0.200422D+01  0.968594D+00 -0.288447D+01
      3   0.402086D+00 -0.200422D+01 -0.249095D+01  0.110644D+01 -0.275446D+01
               306 
      1   0.110644D+01
      2  -0.275446D+01
      3  -0.345626D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.248260D+01 -0.115800D+01 -0.628889D+01 -0.136712D+01  0.949907D+01
      2   0.167032D+01  0.718199D+01  0.162859D+02  0.580619D+01  0.166417D+01
      3   0.814636D-01 -0.602209D+01 -0.544852D+01 -0.159679D+01 -0.751192D+01
                 6             7             8             9            10 
      1   0.287717D+01 -0.597940D+01  0.771002D+01 -0.775107D+01 -0.979097D+00
      2  -0.192050D+01  0.828656D+01 -0.330495D+01 -0.917452D+01  0.175392D+01
      3  -0.854233D-01 -0.328075D+01 -0.458184D+00  0.916199D+01  0.461925D+01
                11            12            13            14            15 
      1  -0.434028D+01  0.509780D+01 -0.455402D+01 -0.741506D+01 -0.946572D+01
      2  -0.628537D+00  0.257858D+01 -0.344643D+00  0.183656D+01  0.206190D+01
      3  -0.113380D+02  0.126336D+01 -0.743836D+01 -0.960639D+00  0.262365D+01
                16            17            18            19            20 
      1   0.367287D+01 -0.225704D+01  0.634613D+01  0.621941D+01  0.281982D+00
      2  -0.203669D+01  0.133380D+01 -0.506143D+00 -0.598304D+01 -0.326821D+01
      3   0.245891D-01  0.210638D+01 -0.520846D+01 -0.737419D+01 -0.429605D+01
                21            22            23            24            25 
      1   0.604131D+00  0.152617D+01 -0.893905D+01 -0.498862D+01  0.713712D-01
      2  -0.390542D+01 -0.391255D+01 -0.253113D+01  0.157194D+01 -0.127409D+02
      3  -0.273421D+01  0.238557D+01  0.595394D+01  0.138635D+01 -0.211064D+01
                26            27            28            29            30 
      1   0.146077D+01  0.639384D+01 -0.756574D+01  0.665248D-01  0.408964D+01
      2   0.290991D+01  0.115143D+02  0.424656D+01  0.369220D+01  0.477453D+01
      3   0.114361D+01 -0.278960D+01  0.250546D+01  0.165561D+01  0.412807D+01
                31            32            33            34            35 
      1  -0.606993D+00  0.916914D+01 -0.760028D+01  0.538555D+01 -0.977729D+00
      2   0.667199D+01 -0.102659D+01 -0.484201D+00 -0.892027D+00 -0.173604D+00
      3   0.791131D+01  0.280182D+01 -0.136800D+01  0.395364D+01 -0.605370D+00
                36            37            38            39            40 
      1  -0.155912D+01  0.943946D+00  0.833417D+00 -0.180616D+01 -0.872394D+00
      2  -0.643898D+01  0.448808D+01 -0.242549D+01  0.142907D+01 -0.408134D+01
      3  -0.369173D+01 -0.306378D+01  0.364727D+01  0.775364D+00  0.670724D+01
                41            42            43            44            45 
      1   0.123583D+01 -0.213595D+01 -0.445166D+01  0.149943D+01 -0.397187D+01
      2  -0.137600D+01 -0.172379D+01 -0.446730D+01 -0.211995D+01  0.153137D+01
      3   0.713913D+00  0.115414D+01 -0.755622D+00 -0.174132D+00  0.115698D+01
                46            47            48            49            50 
      1  -0.250944D+01  0.408912D+00 -0.287300D+00  0.175692D+01  0.363844D+01
      2  -0.201276D+01  0.380308D+01  0.725810D+00  0.378048D+01 -0.320270D+01
      3  -0.273046D+01  0.207310D+00 -0.161566D+01  0.765308D+01 -0.154674D+01
                51            52            53            54            55 
      1   0.131095D+01  0.249585D+00  0.922331D+01  0.812389D+00  0.233545D+01
      2  -0.193068D+00 -0.878024D+01 -0.276975D+00  0.166086D+01 -0.101824D+02
      3   0.181783D+01 -0.183235D+01  0.357219D+01  0.122790D+01  0.686815D+01
                56            57            58            59            60 
      1   0.440554D+01 -0.172717D+01  0.273164D+01  0.218727D+01 -0.129252D+01
      2  -0.291265D+01  0.392521D+00 -0.353232D+01 -0.248648D+01  0.477773D+00
      3  -0.186505D+01  0.132510D+01  0.217193D+01 -0.785022D+00 -0.127578D+00
                61            62            63            64            65 
      1  -0.672630D+00  0.105565D+01  0.349618D+00 -0.755206D+00 -0.271008D+01
      2  -0.167879D+01  0.527649D-01  0.346247D+00  0.879311D+01 -0.407350D+01
      3   0.955086D+00 -0.589683D+00  0.253718D+00 -0.570436D+01  0.196990D+01
                66            67            68            69            70 
      1   0.394028D+01 -0.712504D+00 -0.169476D+00 -0.103381D+01  0.232511D+01
      2  -0.856949D+01 -0.242611D+01  0.348500D+01  0.274637D+01 -0.904160D+01
      3   0.524668D+01  0.312946D+01 -0.187158D+01 -0.287695D+01  0.438347D+01
                71            72            73            74            75 
      1   0.285085D+01 -0.474353D+01  0.102802D+01  0.271711D+00  0.370451D+01
      2   0.410052D+01  0.120282D+02  0.630392D+00 -0.201672D+00  0.999494D+00
      3  -0.243612D+01 -0.671375D+01 -0.142028D+02  0.839575D+01 -0.719299D+00
                76            77            78            79            80 
      1  -0.301595D+00  0.108032D+01 -0.200924D+01  0.138005D+01  0.226447D+00
      2  -0.344946D+00  0.216935D+00 -0.941729D+00 -0.167402D+01  0.268444D+00
      3   0.112105D+02 -0.497410D+01 -0.212239D+00  0.502364D+00 -0.461002D+00
                81            82            83            84            85 
      1  -0.442200D+00  0.199992D+01  0.193868D+01 -0.484214D+01  0.178307D+01
      2  -0.132070D+00 -0.231259D+00 -0.531148D+00  0.215683D+01  0.133178D+00
      3  -0.170568D+01  0.898593D+01 -0.654275D+00 -0.166197D+01  0.352485D+01
                86            87            88            89            90 
      1   0.365427D+01 -0.443659D+01 -0.232204D+01 -0.107130D+01  0.433998D+01
      2  -0.808368D+00  0.177282D+01 -0.522249D+00  0.110111D+01 -0.129402D+01
      3   0.467612D+00 -0.604817D+00 -0.252619D+01  0.649467D-01  0.129648D+01
                91            92            93            94            95 
      1   0.193439D+01 -0.209113D+00  0.137925D+01  0.331105D+00  0.732336D+00
      2   0.279557D+01 -0.206725D+01  0.122665D+02 -0.301986D+01  0.650798D+01
      3   0.134707D+02 -0.327425D+01  0.637185D+00  0.797435D+01 -0.920020D+01
                96            97            98            99           100 
      1  -0.497926D+01  0.148911D+01  0.258444D+01 -0.396362D+01 -0.210521D+01
      2  -0.165366D+01  0.420771D+01 -0.152720D+01 -0.113711D+02 -0.260138D+01
      3  -0.672642D+01  0.101499D+01 -0.588915D+01 -0.253713D+00  0.581532D+00
               101           102           103           104           105 
      1   0.315045D+01  0.135263D+00  0.174754D+01 -0.313360D+01  0.107100D+01
      2   0.120366D+01  0.265591D+01  0.246887D+01  0.105571D+01 -0.244239D+01
      3  -0.294397D+01  0.718545D+00  0.270357D+00  0.276811D+01 -0.292494D+01
               106           107           108           109           110 
      1  -0.423315D+00  0.482268D+01 -0.834265D+00 -0.148754D+01 -0.650246D+00
      2  -0.192804D+01 -0.140770D+01  0.399635D+01 -0.219790D+00  0.138754D+01
      3  -0.539058D+00 -0.314964D+01  0.198434D+01  0.668993D+00  0.372152D+00
               111           112           113           114           115 
      1  -0.396414D+00 -0.107073D+01 -0.121123D+02 -0.147603D+01 -0.166418D+00
      2   0.399892D-01  0.296022D+01  0.241725D+01  0.390841D+00 -0.155695D+01
      3  -0.356122D+00  0.537182D+01 -0.137092D+01 -0.159108D+00 -0.599504D+00
               116           117           118           119           120 
      1   0.786409D+00 -0.915890D+00  0.383436D+01 -0.218209D+01 -0.323580D+01
      2  -0.575709D-01  0.114116D+01  0.734828D+01 -0.919695D+00 -0.113997D+01
      3  -0.323001D+00  0.491673D+00  0.405523D+01 -0.232533D+01 -0.325024D+01
               121           122           123           124           125 
      1  -0.170523D+01  0.195862D+01  0.275353D+01 -0.255318D+01  0.426666D+01
      2  -0.424798D+01  0.937471D+00  0.112091D+00 -0.602162D+01 -0.290496D+00
      3  -0.855436D+00  0.163439D+01  0.127495D+01 -0.322787D+01  0.154655D+01
               126           127           128           129           130 
      1   0.563522D+01  0.720646D+00 -0.107998D-01 -0.707794D+00  0.185978D+00
      2   0.279097D+01  0.301761D+00  0.705894D-01  0.448090D+00 -0.163968D+01
      3   0.355958D+01 -0.240539D+00  0.101635D+01  0.431712D+00  0.676860D+01
               131           132           133           134           135 
      1   0.601803D+00 -0.228614D+01  0.632416D+00  0.103732D+01 -0.187573D+01
      2   0.182973D+01  0.186346D+01 -0.324877D+01  0.926513D+00  0.241046D+01
      3  -0.226846D+01 -0.105193D+01  0.191273D+01 -0.963345D+00 -0.165147D+00
               136           137           138           139           140 
      1  -0.263470D+00  0.118635D+00 -0.509247D+00  0.241406D+00 -0.152907D+01
      2  -0.618016D+00 -0.814458D+00  0.692969D+01  0.191035D+01  0.570661D+00
      3   0.987103D+01 -0.885583D+01  0.145301D+01  0.922275D+01  0.438313D+01
               141           142           143           144           145 
      1  -0.332502D+01  0.609527D+00  0.114263D+01  0.358894D+00  0.934776D+01
      2  -0.139472D+01 -0.732964D+01 -0.241287D+01  0.614584D+00  0.184816D+01
      3  -0.734742D+00 -0.444500D+00  0.737965D-01  0.200368D+01  0.282678D+01
               146           147           148           149           150 
      1  -0.215025D+00 -0.790192D-01 -0.596163D+00 -0.752540D+01 -0.169446D+02
      2  -0.122760D+02  0.140580D+02 -0.117092D+02  0.252418D+01  0.605127D+00
      3  -0.598402D+01  0.342848D+01 -0.226795D+01 -0.345127D+00 -0.175456D+01
               151           152           153           154           155 
      1  -0.562413D+00 -0.911787D+01 -0.301104D+01 -0.955609D+00  0.815014D-01
      2   0.581199D+01  0.141851D+01 -0.188701D+01 -0.835871D+01  0.378206D+01
      3   0.212907D+01 -0.200591D+01 -0.997008D+00 -0.157459D+02  0.224054D+01
               156           157           158           159           160 
      1   0.387321D+00  0.589125D+00  0.271367D+01 -0.851666D+00  0.109687D+01
      2  -0.973930D+01  0.506796D+01 -0.946231D+01  0.252429D+01 -0.194706D+02
      3  -0.288356D+01  0.889844D+01  0.184319D+02  0.896089D+01 -0.404264D+01
               161           162           163           164           165 
      1   0.293029D+01 -0.855481D+00 -0.804805D+01  0.240647D+01 -0.585673D+01
      2   0.198188D+01  0.166449D+02 -0.309748D+01  0.681826D+01 -0.419626D+01
      3   0.909959D+01 -0.233495D+01 -0.130369D+02 -0.151503D+02  0.103077D+01
               166           167           168           169           170 
      1   0.212828D+01 -0.608213D+01  0.129850D+01 -0.806739D+01  0.889282D+01
      2   0.597848D+01 -0.564368D+01  0.150346D+01 -0.994692D+01  0.378513D+01
      3  -0.991650D+01  0.340873D+01  0.383810D+01  0.154975D+01  0.383778D+01
               171           172           173           174           175 
      1   0.131691D+02 -0.463845D+01  0.523776D+01 -0.528696D-01  0.361541D+01
      2   0.104379D+02 -0.151552D+02  0.688210D+01 -0.570982D+01  0.814261D+01
      3   0.318953D+01 -0.683391D+01  0.148667D+01 -0.271302D+01  0.473957D+01
               176           177           178           179           180 
      1  -0.454264D+01  0.166429D+01 -0.773782D+00  0.317738D+01 -0.963268D+00
      2  -0.552674D+01  0.319367D+01 -0.578581D+01  0.280202D+01 -0.450582D+01
      3  -0.190777D+01  0.198588D+01 -0.172151D+01  0.660343D+00 -0.201305D+01
               181           182           183           184           185 
      1  -0.412563D+01 -0.516145D+01 -0.180205D+00 -0.329973D+01 -0.412448D+01
      2   0.113066D+02  0.466247D+01 -0.113808D+01  0.626591D+01  0.260999D+01
      3   0.327306D+01 -0.125515D+01 -0.563196D+00  0.224521D+01 -0.103148D+01
               186           187           188           189           190 
      1   0.143249D+01  0.805827D+00  0.330716D+01 -0.110995D+01  0.125585D+01
      2  -0.581914D+00 -0.400005D+01 -0.145331D+01  0.217067D+01 -0.860662D+00
      3   0.472452D+00 -0.793924D+00  0.687796D+00  0.653970D+00  0.203097D+00
               191           192           193           194           195 
      1  -0.216101D+00  0.430039D+00 -0.176392D+00  0.156457D+02  0.806628D+01
      2  -0.727567D+00 -0.176811D+01 -0.376817D+01 -0.131387D+01 -0.272645D+01
      3  -0.565398D+00 -0.526316D+00  0.163512D+01  0.198971D+01  0.151346D+01
               196           197           198           199           200 
      1   0.267277D+00  0.878254D+01  0.794267D+01 -0.108336D+01 -0.114122D+00
      2  -0.365087D+01 -0.151966D+01 -0.273838D+01  0.342231D+01  0.375600D+00
      3   0.215857D+00  0.120906D+01  0.119443D+01 -0.401315D+01 -0.343923D+01
               201           202           203           204           205 
      1   0.110715D+00  0.483604D-01 -0.273677D+01 -0.362428D+01  0.757967D+00
      2   0.278272D+00 -0.499861D+00  0.488540D+01  0.563641D+01 -0.139720D+01
      3   0.755148D+00 -0.102133D+01 -0.247357D+02 -0.526319D+01  0.176111D+01
               206           207           208           209           210 
      1  -0.424378D+00 -0.143544D+01  0.875552D-01  0.483093D+00  0.300005D+00
      2   0.377350D+01  0.319350D+01  0.882605D+01 -0.271567D+01  0.879961D+01
      3  -0.545894D+01 -0.413340D+01  0.790955D+01 -0.745349D+01  0.275396D+01
               211           212           213           214           215 
      1  -0.249366D+00 -0.454496D+00 -0.101185D+01 -0.119221D+00  0.109528D+01
      2  -0.382123D+01  0.375551D+01 -0.516921D+01  0.771058D+01 -0.286440D+01
      3  -0.492155D+01  0.556615D+01 -0.342033D+01  0.360973D+01 -0.593680D+01
               216           217           218           219           220 
      1   0.374115D+00  0.520272D+00 -0.735546D+00 -0.680957D+00 -0.152711D+00
      2   0.640753D+01 -0.460896D+01 -0.558668D+00  0.749493D+01 -0.366255D+00
      3   0.295037D+01  0.149807D+01 -0.234184D+01 -0.331430D-01 -0.124286D+01
               221           222           223           224           225 
      1   0.953972D-01 -0.503652D+00 -0.542304D+00  0.299457D+01  0.178874D+01
      2  -0.186789D+01 -0.103536D+01  0.821185D+01 -0.372804D-02 -0.250885D+02
      3  -0.100402D+01  0.188149D+01  0.478803D+00  0.472957D+01  0.214697D+00
               226           227           228           229           230 
      1   0.317686D+01  0.127375D+01 -0.331151D+01  0.176060D+01  0.260860D+01
      2  -0.374312D+01 -0.184951D+01  0.431538D+00 -0.131246D+01 -0.118927D+01
      3   0.209775D+02  0.852588D+01 -0.136568D+01  0.940564D+01  0.105893D+02
               231           232           233           234           235 
      1  -0.296980D+01 -0.151814D+01 -0.615058D+00  0.905687D-01 -0.158456D+01
      2  -0.262798D+00 -0.121887D+01 -0.952281D+00 -0.742100D+00 -0.111713D+01
      3  -0.492909D+00 -0.158100D+01 -0.972971D+00  0.219526D+01  0.193721D-01
               236           237           238           239           240 
      1  -0.216234D+00  0.347299D+01  0.102934D+00 -0.160878D+01 -0.163703D+01
      2   0.117111D+00  0.341987D+01 -0.457224D+00 -0.146212D+01 -0.895096D+00
      3  -0.406825D+00  0.132685D+01  0.113236D+01 -0.126238D+00  0.124317D+01
               241           242           243           244           245 
      1   0.422001D+01  0.230018D+00 -0.169329D+02  0.522485D+01 -0.351515D+01
      2   0.592435D+00 -0.396419D+01 -0.151974D+02  0.480567D+01 -0.366092D+01
      3   0.270925D+01  0.396065D+01  0.329348D+00 -0.368087D+01 -0.245587D+01
               246           247           248           249           250 
      1   0.513350D+01 -0.338291D+01  0.463506D+01 -0.410720D+01  0.409388D+01
      2   0.554193D+01 -0.296592D+01  0.405111D+01 -0.292590D+01  0.329837D+01
      3  -0.129616D+01  0.255469D+01  0.302931D+01 -0.716034D+00 -0.237775D+01
               251           252           253           254           255 
      1  -0.289953D+01  0.335504D+01 -0.255262D+00 -0.132265D+00 -0.116179D+01
      2  -0.344796D+01  0.334762D+01 -0.275548D+01 -0.112899D+01 -0.104177D+02
      3  -0.320904D+01 -0.384290D+00 -0.975347D+01  0.232023D-01  0.827203D+00
               256           257           258           259           260 
      1   0.414393D+00  0.151597D+01  0.714767D+01  0.628812D+00  0.956182D+01
      2  -0.191543D+01  0.193844D+01 -0.708148D+01 -0.188673D+02 -0.139939D+01
      3   0.237971D+01  0.216881D+02 -0.165299D+01  0.193582D+01 -0.225237D+01
               261           262           263           264           265 
      1  -0.174591D+01 -0.126559D+00  0.375956D+00  0.158329D+01  0.224781D-01
      2   0.173783D+01  0.174525D+01  0.152717D+01  0.550630D+01  0.181246D+01
      3   0.255425D+01  0.201909D+02 -0.739318D+00 -0.118882D+01  0.138044D+02
               266           267           268           269           270 
      1   0.824498D+00  0.169851D+01 -0.306086D+01  0.721265D+01 -0.554055D+00
      2   0.184420D+01  0.161117D+02 -0.802078D+01  0.214201D+02 -0.461784D+01
      3  -0.119232D+02 -0.184484D+01 -0.128009D+01 -0.285547D+01 -0.196483D+02
               271           272           273           274           275 
      1   0.539310D+00  0.352187D+00  0.706931D+00  0.207746D+00 -0.518717D-01
      2  -0.974187D+00  0.318233D-01  0.641501D+01  0.469381D+00 -0.239509D+01
      3  -0.818744D+01 -0.619513D+01 -0.432454D+00  0.268154D+01 -0.371296D+02
               276           277           278           279           280 
      1  -0.963915D+01 -0.162397D+00  0.335679D+00  0.107784D+01  0.444282D+00
      2   0.108365D+02  0.465251D+01  0.753783D+01 -0.295650D+01  0.318819D+01
      3   0.198179D+01 -0.923541D+00  0.259668D+01 -0.752896D+01  0.149532D+00
               281           282           283           284           285 
      1  -0.148593D+00 -0.641201D-01 -0.611412D+00  0.909791D+00 -0.335482D+01
      2  -0.309037D+00  0.737885D+00 -0.191090D+01  0.820996D+01 -0.110719D+02
      3  -0.506231D+00 -0.344721D+00 -0.321721D+01  0.137530D+02 -0.759398D+01
               286           287           288           289           290 
      1   0.106163D+01 -0.746029D+00  0.466741D+01 -0.896968D-01  0.134205D-01
      2   0.419479D+01 -0.124441D+02  0.210215D+02 -0.191856D+01 -0.495583D+00
      3   0.167555D+01 -0.106783D+02  0.116551D+02 -0.138818D+02 -0.973483D+01
               291           292           293           294           295 
      1   0.328521D+00  0.683866D-01 -0.317694D-01 -0.763326D+00  0.733479D+00
      2   0.694859D+01 -0.707099D+00 -0.672558D+00  0.219899D+01  0.368434D+01
      3   0.468886D+00 -0.777223D+01 -0.761850D+01  0.565241D+00  0.553087D+00
               296           297           298           299           300 
      1   0.471459D+00 -0.272532D-01 -0.557406D+00  0.151004D-01 -0.216055D+00
      2  -0.505293D+00 -0.491088D+00 -0.311067D+01 -0.176024D+00  0.340209D+00
      3   0.903402D+00 -0.627079D-01  0.628986D+00  0.232572D+00  0.766202D+00
               301           302           303           304           305 
      1   0.776314D+00 -0.204402D+01 -0.395481D+01  0.958714D+00 -0.152003D+01
      2   0.151511D+01 -0.937548D+01 -0.111032D+02  0.331578D+01 -0.123538D+02
      3  -0.321791D+01  0.181996D+02  0.853587D+01 -0.132797D+01  0.122271D+02
               306 
      1  -0.421238D+01
      2  -0.154788D+02
      3   0.115575D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.796402D+00 -0.101475D+02 -0.191615D+02 -0.789905D+01 -0.100981D+02
      2   0.668954D+01  0.359291D+01 -0.390170D+01  0.400963D+01  0.105172D+02
      3  -0.589314D+01  0.655458D+01  0.230632D+02  0.388942D+01 -0.419024D+00
      4  -0.150095D+02 -0.954632D+01 -0.122790D+02 -0.836288D+01  0.568329D+01
      5  -0.163456D+02 -0.140295D+02 -0.850571D+01 -0.113616D+02 -0.956353D+00
      6  -0.205102D+02 -0.645698D+01  0.501432D+01 -0.491860D+01  0.829254D+01
                 6             7             8             9            10 
      1   0.180514D+01 -0.143412D+02  0.282320D+01  0.145166D+02  0.675426D+01
      2   0.795376D+01 -0.300132D+01  0.611729D+01 -0.705466D+01 -0.179757D+02
      3  -0.975890D+01  0.173425D+02 -0.894049D+01 -0.746193D+01  0.112215D+02
      4  -0.710706D+00 -0.726023D+01  0.972253D-01  0.259001D+00  0.121591D+01
      5  -0.639263D+01 -0.167733D+01 -0.463010D+01  0.107623D+02  0.408186D+01
      6  -0.494241D+01  0.482820D+01 -0.691062D+01 -0.816253D+01  0.502278D+01
                11            12            13            14            15 
      1   0.994647D+00 -0.107568D-01 -0.551225D+00 -0.165156D+01 -0.507763D+01
      2  -0.357229D+01  0.822295D+01 -0.239729D+01 -0.143696D+01  0.109452D+02
      3   0.257764D+01 -0.821219D+01  0.294851D+01  0.308852D+01 -0.586757D+01
      4  -0.172851D+02  0.584408D+01 -0.128460D+02 -0.213352D+01  0.933957D+01
      5   0.474458D+01 -0.425312D+01  0.427187D+01  0.734359D+01  0.367965D+01
      6   0.782180D+01 -0.594475D+01  0.591192D+01  0.956432D+01  0.195948D+01
                16            17            18            19            20 
      1  -0.192322D+01 -0.594570D+01 -0.433520D+01  0.368195D+00  0.496040D+01
      2   0.813203D+01  0.142053D+02  0.100744D+02 -0.566236D+00 -0.532574D+01
      3  -0.620881D+01 -0.825956D+01 -0.573923D+01  0.198041D+00  0.365335D+00
      4   0.375400D+01  0.999727D+01 -0.330707D+01  0.833518D+01 -0.391354D+01
      5  -0.383361D+01  0.712190D+00 -0.498794D+01  0.289217D+00  0.105098D+02
      6  -0.497931D+01  0.214889D+01 -0.343259D+01  0.108244D+02  0.296753D+00
                21            22            23            24            25 
      1   0.728331D+01  0.529947D+01  0.422979D+01 -0.806338D+00  0.936088D+01
      2   0.966858D+01 -0.618412D+01  0.642964D+00 -0.891445D+01  0.554402D+01
      3  -0.169519D+02  0.884653D+00 -0.487275D+01  0.972078D+01 -0.149049D+02
      4   0.744379D+01 -0.395655D+01 -0.700414D+01 -0.855001D+01  0.618667D+01
      5  -0.142423D+02  0.100954D+02 -0.923612D+01  0.115495D+02 -0.180942D+02
      6   0.926985D+01 -0.217135D+01 -0.864561D+01 -0.756214D+01  0.784826D+01
                26            27            28            29            30 
      1  -0.157344D+01 -0.158425D+02 -0.495923D+00  0.153707D+01 -0.892926D+01
      2  -0.551266D+01  0.884346D+01  0.797659D+01 -0.275570D+01 -0.671305D+01
      3   0.708610D+01  0.699907D+01 -0.748067D+01  0.121863D+01  0.156423D+02
      4  -0.559712D+01  0.132159D+02  0.177222D+01  0.196911D+01 -0.403785D+00
      5   0.126242D+02 -0.745470D+01 -0.120296D+01 -0.427031D+01 -0.636033D+01
      6  -0.467970D+01  0.834341D+01 -0.723049D+01  0.388743D+00 -0.297595D+01
                31            32            33            34            35 
      1   0.816080D+00  0.121399D+02  0.205274D+01 -0.102209D+02  0.274791D+01
      2  -0.403633D+01 -0.186757D+02  0.100395D+02 -0.481463D+01  0.452066D+01
      3   0.322025D+01  0.653588D+01 -0.120923D+02  0.150355D+02 -0.726857D+01
      4   0.213055D+01  0.284090D+00  0.130444D+01 -0.151823D+01 -0.910929D-01
      5  -0.556035D+01  0.554164D+01  0.215445D+01 -0.304615D+01 -0.281674D+00
      6   0.219336D+01  0.175924D+02 -0.119755D+01 -0.416617D+01  0.164705D+01
                36            37            38            39            40 
      1  -0.303479D+01 -0.326175D+02  0.241926D+01  0.978398D+00  0.113252D+02
      2   0.419902D+01  0.167578D+02 -0.258465D+01  0.192623D+00 -0.402156D+01
      3  -0.116423D+01  0.158597D+02  0.165384D+00 -0.117102D+01 -0.730365D+01
      4  -0.332918D+01 -0.288054D+01 -0.851314D+01  0.120006D+01 -0.282100D+01
      5   0.871994D+01  0.311600D+00  0.216822D+01 -0.816139D+01  0.330855D+01
      6  -0.697785D+01  0.414563D+01 -0.147997D+01 -0.537840D+00 -0.221760D+01
                41            42            43            44            45 
      1   0.319252D+01 -0.111324D+01  0.300547D+01 -0.245826D+01  0.815863D+01
      2  -0.361734D+00 -0.201576D+01 -0.311433D+00  0.146880D+01 -0.263016D+01
      3  -0.283078D+01  0.312900D+01 -0.269404D+01  0.989458D+00 -0.552847D+01
      4   0.236543D+00 -0.199701D+01  0.118885D+01 -0.115528D+00 -0.771528D+00
      5  -0.243791D+01 -0.226767D+01 -0.317347D+01 -0.196088D+01 -0.235030D+01
      6  -0.519401D+01 -0.782384D+01  0.471228D+00 -0.570503D+01 -0.398289D+00
                46            47            48            49            50 
      1  -0.163476D+02  0.677765D+01 -0.265976D+01  0.114522D+02 -0.576289D+01
      2   0.266839D+01 -0.333681D-01 -0.249229D-01 -0.482976D+01 -0.479354D+01
      3   0.136792D+02 -0.674429D+01  0.268468D+01 -0.662244D+01  0.105564D+02
      4   0.104250D+02 -0.137153D+01 -0.143500D+01 -0.742240D+00  0.133025D+00
      5  -0.303699D+01 -0.464536D+01  0.414154D+01 -0.420341D+01 -0.468347D+01
      6  -0.783184D+01  0.703321D+00  0.981143D+00  0.992923D+00 -0.578185D+01
                51            52            53            54            55 
      1   0.503873D+01 -0.598251D+01  0.743323D+01 -0.675385D+00  0.207274D+02
      2  -0.886291D+01  0.116398D+01 -0.120107D+02  0.112706D-01 -0.121527D+02
      3   0.382418D+01  0.481854D+01  0.457744D+01  0.664114D+00 -0.857474D+01
      4  -0.655118D+01  0.113375D+01 -0.878844D+01  0.103216D+01  0.249661D+02
      5  -0.338516D+00  0.187098D+01 -0.169161D+01  0.620047D+01  0.276587D+02
      6   0.498470D+01  0.194875D+00  0.140430D+01  0.329181D+01  0.161283D+02
                56            57            58            59            60 
      1   0.355647D+01  0.379444D+01  0.385764D+01  0.105814D+01 -0.128252D+01
      2   0.776479D+00 -0.613651D+01  0.983989D+00  0.365555D+01 -0.511627D+00
      3  -0.433295D+01  0.234207D+01 -0.484163D+01 -0.471369D+01  0.179415D+01
      4   0.174614D+02  0.130158D+02  0.150399D+02  0.133401D+02  0.786181D+01
      5   0.142686D+02  0.201038D+02  0.107216D+02  0.102888D+02  0.841404D+01
      6   0.137490D+02  0.121651D+02  0.997120D+01  0.107345D+02  0.100542D+02
                61            62            63            64            65 
      1   0.204162D+01 -0.116195D+01 -0.140568D+00 -0.736065D+01  0.859739D+01
      2  -0.412426D+01 -0.192838D+01 -0.483647D+01 -0.217458D+01 -0.369273D+01
      3   0.208264D+01  0.309033D+01  0.497704D+01  0.953523D+01 -0.490465D+01
      4   0.709180D+01  0.561622D+01  0.798063D+01 -0.299863D+01  0.250147D+01
      5   0.135172D+02  0.750335D+01  0.119686D+02 -0.551469D+01  0.333523D+01
      6   0.722880D+01  0.824834D+01  0.102044D+02  0.945598D+01 -0.874144D+01
                66            67            68            69            70 
      1   0.161456D+02  0.421232D+01 -0.789535D+01 -0.774264D+01  0.103629D+02
      2   0.394949D+01 -0.264592D+01  0.295470D+01  0.186397D+01  0.203940D+01
      3  -0.200951D+02 -0.156640D+01  0.494065D+01  0.587867D+01 -0.124023D+02
      4   0.465793D+01  0.276063D+01 -0.114393D+01  0.872343D-01  0.412591D+01
      5   0.674344D+01  0.258064D+01 -0.113762D+01  0.387111D+00  0.642348D+01
      6  -0.138256D+02 -0.411571D+01  0.786877D+01  0.127167D+02 -0.696915D+01
                71            72            73            74            75 
      1  -0.103712D+02 -0.270161D+02 -0.706006D+01  0.932005D+01  0.112717D+01
      2   0.551201D+00 -0.920153D+01  0.162530D+02 -0.181107D+02 -0.867451D+00
      3   0.982000D+01  0.362176D+02 -0.919292D+01  0.879065D+01 -0.259719D+00
      4   0.445830D+00 -0.170246D+01 -0.137089D+02  0.114508D+02 -0.110869D+01
      5   0.827115D+00 -0.150486D+01 -0.201305D+01  0.767797D+00  0.105642D+01
      6   0.143975D+02  0.234795D+02 -0.246959D-01 -0.190621D+01 -0.465646D+01
                76            77            78            79            80 
      1   0.232637D+01 -0.108219D+02 -0.952445D-01  0.158543D+00 -0.100186D+00
      2  -0.931169D+01  0.202475D+02 -0.158811D+01 -0.802005D+00 -0.102342D+01
      3   0.698532D+01 -0.942564D+01  0.168336D+01  0.643462D+00  0.112361D+01
      4   0.111259D+02 -0.715854D+01 -0.650801D+00 -0.628173D-01 -0.115493D+01
      5   0.616732D+00 -0.149850D+01 -0.530526D+00  0.234876D+01 -0.593710D+00
      6  -0.125252D+01  0.430391D+00  0.352570D+01 -0.336071D+01  0.494099D+01
                81            82            83            84            85 
      1  -0.201183D+01  0.862635D+01 -0.632495D+01 -0.322122D+00 -0.335912D+01
      2   0.134727D+01  0.438155D+01  0.170630D+02 -0.338830D+01  0.107590D+02
      3   0.664561D+00 -0.130079D+02 -0.107381D+02  0.371042D+01 -0.739991D+01
      4  -0.161422D+01  0.139001D+02  0.185545D+02 -0.600463D+01  0.145813D+02
      5   0.388315D+00 -0.435850D+01 -0.361646D+01  0.507882D+01 -0.248260D+01
      6   0.121654D+01 -0.428495D+01 -0.522541D+01  0.676901D+01 -0.361638D+01
                86            87            88            89            90 
      1  -0.100980D+02  0.329365D+01 -0.174089D-01  0.551259D+01 -0.275110D+01
      2   0.283506D+02 -0.801967D+01 -0.337038D+01 -0.118110D+02  0.404756D+01
      3  -0.182526D+02  0.472602D+01  0.338779D+01  0.629845D+01 -0.129646D+01
      4   0.207151D+02 -0.650540D+01 -0.607922D+01 -0.854816D+01  0.691617D+01
      5  -0.510770D+01  0.370808D+01  0.437450D+01  0.433163D+01 -0.458207D+01
      6  -0.862248D+01  0.706014D+01  0.525181D+01  0.901819D+01 -0.732412D+01
                91            92            93            94            95 
      1  -0.431823D+01 -0.247204D+02  0.626089D+01 -0.285634D+02  0.870508D+01
      2   0.909123D+01  0.115274D+02 -0.262193D+01  0.139393D+02 -0.822604D+01
      3  -0.477301D+01  0.131930D+02 -0.363896D+01  0.146241D+02 -0.479036D+00
      4  -0.242965D+02  0.659307D+01 -0.187115D+01  0.520318D+01  0.125084D+02
      5   0.369967D+01 -0.238191D+00  0.129472D+02 -0.137112D+01  0.880510D+01
      6   0.338473D+01 -0.436024D+00 -0.210611D+01 -0.405884D+00 -0.219323D+01
                96            97            98            99           100 
      1  -0.127367D+01  0.645544D+01  0.981409D+00  0.169450D+02  0.926326D+01
      2  -0.192120D+01 -0.176445D+01 -0.519082D+01 -0.603364D+01 -0.115764D+02
      3   0.319487D+01 -0.469099D+01  0.420941D+01 -0.109114D+02  0.231317D+01
      4   0.113608D+02 -0.268673D+01  0.115846D+02 -0.596569D+01 -0.103150D+02
      5  -0.460000D+01  0.151033D+02 -0.364980D+01 -0.157050D+02  0.198411D+02
      6  -0.713610D+00 -0.238635D+01  0.990764D+00  0.358366D+01 -0.829678D+01
               101           102           103           104           105 
      1  -0.287407D+01  0.192379D+01 -0.243976D+01 -0.312837D+01  0.375578D+01
      2   0.345835D+01 -0.109740D+02  0.316533D+01 -0.953766D+00  0.391127D+01
      3  -0.584283D+00  0.905022D+01 -0.725564D+00  0.408213D+01 -0.766704D+01
      4   0.892069D+01 -0.776371D+01  0.912354D+01 -0.915032D+01  0.943522D+01
      5  -0.973866D+01  0.227202D+02 -0.995702D+01  0.112429D+02 -0.123597D+02
      6   0.640420D+01 -0.808485D+01  0.699030D+01 -0.104853D+02  0.140611D+02
               106           107           108           109           110 
      1  -0.298606D+00  0.332266D+01 -0.771891D+01 -0.282881D+00 -0.747108D+00
      2  -0.937664D+01  0.421256D+01 -0.167029D+02  0.258243D+01  0.200528D+01
      3   0.967525D+01 -0.753522D+01  0.244218D+02 -0.229955D+01 -0.125817D+01
      4  -0.613114D+01  0.725115D+01 -0.997705D+01  0.740501D+00  0.519454D+01
      5   0.197495D+02 -0.106306D+02  0.278526D+02 -0.637011D+00 -0.217197D+01
      6  -0.712354D+01  0.114436D+02 -0.145070D+02 -0.285203D+01 -0.134916D+01
               111           112           113           114           115 
      1   0.106743D+01 -0.929841D+00 -0.246546D+02  0.931897D+01  0.247583D+01
      2   0.208905D+00  0.236591D+01  0.349412D+02 -0.703185D+01  0.178657D+00
      3  -0.127634D+01 -0.143607D+01 -0.102866D+02 -0.228712D+01 -0.265448D+01
      4  -0.126067D+01  0.559644D+01  0.146103D+01 -0.107919D+01 -0.399662D+00
      5   0.283486D+01 -0.361362D+01 -0.398838D+01  0.108974D+01  0.247540D+01
      6   0.113038D+01 -0.372807D+01 -0.264248D+02  0.126972D+02  0.166689D+01
               116           117           118           119           120 
      1   0.508149D+01 -0.508667D+01  0.203297D+01 -0.113058D+01  0.469838D+01
      2  -0.209981D+01  0.305505D+01 -0.968954D+01  0.157515D+01  0.749425D+01
      3  -0.298169D+01  0.203162D+01  0.765657D+01 -0.444572D+00 -0.121926D+02
      4   0.967235D-01  0.459122D+00  0.164567D+01  0.149415D+01 -0.146271D+01
      5   0.643692D+00 -0.162180D+01 -0.120191D+02  0.125748D+01  0.125656D+02
      6   0.902453D+01 -0.578758D+01  0.190241D+00 -0.271413D+01  0.208647D+01
               121           122           123           124           125 
      1  -0.311167D+00 -0.343031D+01 -0.346828D+01  0.332343D+01 -0.803332D-01
      2   0.297929D+01  0.821786D+00 -0.491867D+01  0.745168D+01 -0.267852D+01
      3  -0.266813D+01  0.260853D+01  0.838695D+01 -0.107751D+02  0.275885D+01
      4   0.110272D+01 -0.754715D+00 -0.101280D+01 -0.163573D+01 -0.115950D+01
      5   0.456120D+01 -0.276280D+01 -0.407914D+01  0.117238D+02 -0.307380D+00
      6  -0.226554D+01  0.482932D+00  0.409246D+01  0.210404D+01  0.456645D+01
               126           127           128           129           130 
      1  -0.124603D+02  0.752031D+01  0.507802D+00  0.902814D+00  0.356867D+01
      2  -0.131408D+02 -0.245061D+01  0.121803D+00 -0.370344D+00 -0.182064D+01
      3   0.256011D+02 -0.506970D+01 -0.629604D+00 -0.532470D+00 -0.174803D+01
      4   0.174654D+01  0.271601D+00  0.322150D+01  0.193903D+01  0.506650D+01
      5  -0.132132D+02  0.147361D+01  0.157470D+01  0.281444D+01  0.232877D+01
      6  -0.190661D+01  0.272170D+01  0.107815D+01  0.170204D+01  0.112311D+01
               131           132           133           134           135 
      1  -0.835644D+01 -0.474270D+01  0.184479D+01 -0.394141D+01 -0.772591D+01
      2   0.984309D+01  0.411031D+01 -0.150346D+01  0.259793D+01  0.141780D+01
      3  -0.148665D+01  0.632385D+00 -0.341327D+00  0.134347D+01  0.630811D+01
      4   0.251888D+01  0.233829D+01  0.200061D+01  0.206497D+01  0.219298D+01
      5   0.230024D+01  0.252172D+01  0.349505D+01  0.251080D+01  0.391050D+01
      6   0.878182D+01  0.811682D+01  0.129948D+01  0.723261D+01  0.813548D+01
               136           137           138           139           140 
      1   0.252945D+02 -0.605242D+01  0.421448D+01 -0.203292D+02 -0.212565D+01
      2  -0.137457D+02  0.149030D+01 -0.199145D+01  0.104782D+02  0.443151D+01
      3  -0.115489D+02  0.456213D+01 -0.222303D+01  0.985099D+01 -0.230586D+01
      4  -0.639001D+01  0.149845D+02 -0.116160D+01  0.103899D+02 -0.524488D+01
      5   0.257488D+01 -0.106619D+01  0.141137D+02 -0.197540D+01  0.125669D+01
      6  -0.742169D+00 -0.549591D+00  0.661294D+00  0.133797D-02  0.171448D+00
               141           142           143           144           145 
      1   0.305721D+00  0.337207D+01  0.698331D+00 -0.449886D+01  0.107037D+02
      2   0.415500D+00 -0.102475D+01 -0.142351D+00  0.786104D+00 -0.160302D+01
      3  -0.721221D+00 -0.234732D+01 -0.555980D+00  0.371276D+01 -0.910063D+01
      4   0.140757D+01 -0.111959D+01 -0.279653D+00 -0.287622D+01 -0.661087D+01
      5   0.379316D+00  0.171172D+01 -0.157243D+01  0.563526D+00  0.415856D+01
      6   0.514779D+01  0.733668D+00  0.346224D+01 -0.854806D+00  0.244859D+02
               146           147           148           149           150 
      1  -0.606933D+01  0.458371D+01 -0.603559D+01  0.931205D+01  0.633040D+01
      2   0.316178D+01 -0.283812D+01  0.329512D+01  0.874506D+01  0.738092D+01
      3   0.290755D+01 -0.174559D+01  0.274046D+01 -0.180571D+02 -0.137113D+02
      4  -0.871135D+01  0.980631D+01 -0.834082D+01  0.188980D+01  0.533912D+01
      5   0.204049D+02 -0.158349D+02  0.199750D+02  0.414028D+01  0.167488D+01
      6  -0.132845D+01 -0.265994D+00 -0.133603D+01 -0.407973D+01 -0.200165D+02
               151           152           153           154           155 
      1   0.384147D+01  0.343169D+01 -0.746726D+01  0.361186D+00  0.297353D+02
      2  -0.169024D+01  0.816905D+01 -0.573111D+01  0.858141D+00 -0.151836D+02
      3  -0.215123D+01 -0.116007D+02  0.131984D+02 -0.121933D+01 -0.145517D+02
      4   0.581638D+01  0.458463D+01  0.136519D+01  0.293459D+02 -0.397442D+01
      5  -0.121739D+02  0.175228D+01 -0.374408D+01 -0.160248D+02  0.428907D+01
      6  -0.313153D+00 -0.142273D+02 -0.114177D+02 -0.112118D+01 -0.466331D+00
               156           157           158           159           160 
      1  -0.180058D+02  0.347365D+02 -0.678147D+01  0.800944D+01 -0.231902D+02
      2   0.585167D+01 -0.191917D+02 -0.996116D-01 -0.420575D+01  0.551152D+01
      3   0.121541D+02 -0.155448D+02  0.688108D+01 -0.380368D+01  0.176786D+02
      4   0.448623D+01 -0.763854D+01 -0.254882D+02 -0.144196D+02  0.678055D+01
      5  -0.193996D+02  0.733099D+01 -0.136811D+02  0.582267D+01 -0.292509D+02
      6  -0.240739D+00 -0.101264D+01  0.660053D+00  0.118070D+01  0.130321D+00
               161           162           163           164           165 
      1   0.730487D+01 -0.212307D+02  0.918226D+01  0.237766D+02 -0.808284D+01
      2  -0.393749D+01  0.182232D+02 -0.215988D+02 -0.117269D+02 -0.351027D+01
      3  -0.336738D+01  0.300749D+01  0.124166D+02 -0.120497D+02  0.115931D+02
      4  -0.147773D+02  0.492869D+01  0.195192D+02 -0.194717D+02  0.971419D+01
      5   0.499435D+01  0.312640D+02 -0.859540D+01  0.229842D+01 -0.848331D+01
      6   0.604426D+00  0.157241D+01  0.394178D+01 -0.616516D+01  0.781683D+01
               166           167           168           169           170 
      1   0.235478D+02 -0.948952D+01 -0.580472D+00 -0.103329D+02  0.152379D+01
      2  -0.119108D+02  0.855356D+01  0.967269D+01 -0.464898D+01  0.128410D+02
      3  -0.116369D+02  0.935966D+00 -0.909222D+01  0.149819D+02 -0.143647D+02
      4  -0.157606D+02 -0.748870D+01 -0.138153D+02  0.121675D+02 -0.164810D+02
      5   0.214560D+01 -0.113142D+02  0.194551D+01 -0.122010D+02  0.666410D+01
      6  -0.537995D+01  0.121926D+02  0.409937D+00  0.105986D+02 -0.365838D+01
               171           172           173           174           175 
      1  -0.400703D+01 -0.527175D+01  0.762402D+01 -0.118804D+02  0.592122D+01
      2   0.111945D+02 -0.821810D+00 -0.399865D+01 -0.351529D+01 -0.344608D+01
      3  -0.718746D+01  0.609356D+01 -0.362538D+01  0.153957D+02 -0.247514D+01
      4   0.121035D+02 -0.710495D+01  0.541922D+01 -0.440969D+01  0.592544D+01
      5   0.239643D+02  0.178302D+02 -0.969257D+01  0.115305D+02 -0.105701D+02
      6  -0.184177D+02 -0.138530D+02  0.123790D+02 -0.112346D+02  0.967836D+01
               176           177           178           179           180 
      1  -0.102862D+02  0.836996D+01 -0.562786D+01  0.459907D+01 -0.828302D+01
      2   0.572472D+01 -0.674065D+00 -0.233071D+01 -0.525267D-01 -0.280886D+01
      3   0.456146D+01 -0.769589D+01  0.795857D+01 -0.454655D+01  0.110919D+02
      4  -0.365504D+01  0.117947D+01 -0.240433D+01  0.104615D+01 -0.225794D+01
      5   0.527477D+01 -0.471491D+01  0.778901D+01 -0.349482D+01  0.707877D+01
      6  -0.132567D+02  0.138135D+02 -0.612081D+01  0.854269D+01 -0.786017D+01
               181           182           183           184           185 
      1   0.726840D+01 -0.637642D+00  0.464713D+01  0.995688D+00 -0.493902D+01
      2  -0.710043D+01  0.363323D+00  0.727550D+01 -0.226833D+00  0.275199D+01
      3  -0.167975D+00  0.274318D+00 -0.119226D+02 -0.768855D+00  0.218703D+01
      4   0.132538D+02  0.107621D+02 -0.808709D+01  0.101544D+02  0.951676D+01
      5  -0.229206D+02 -0.130334D+02  0.188059D+02 -0.131011D+02 -0.995273D+01
      6  -0.129117D+02 -0.115527D+02  0.108699D+02 -0.882268D+01 -0.124965D+02
               186           187           188           189           190 
      1   0.526636D+01  0.169199D+01  0.254032D+01 -0.367914D+01 -0.209574D+01
      2   0.109358D+01  0.453065D+01  0.103751D+01 -0.536611D+01 -0.147007D+01
      3  -0.635994D+01 -0.622264D+01 -0.357783D+01  0.904525D+01  0.356581D+01
      4  -0.642701D+01 -0.442602D+01 -0.388811D+01  0.514225D+01 -0.140685D+00
      5   0.910872D+01  0.126997D+02  0.612569D+01 -0.116895D+02 -0.756239D+00
      6   0.131508D+02  0.626670D+01  0.859291D+01 -0.760051D+01  0.556259D+00
               191           192           193           194           195 
      1  -0.461373D+00 -0.231533D+01 -0.107216D+01 -0.878678D+01 -0.142952D+02
      2  -0.421428D+00  0.193545D+00 -0.207224D+00 -0.351946D+01 -0.113013D+02
      3   0.882801D+00  0.212178D+01  0.127939D+01  0.123062D+02  0.255965D+02
      4   0.292686D+01 -0.107979D+00  0.277360D+01 -0.580146D+01 -0.316900D+01
      5   0.131097D+01  0.624857D+01  0.414409D+01 -0.276946D+01 -0.453916D+01
      6   0.613321D+00  0.613346D+00  0.543132D+00  0.209231D+02  0.153867D+02
               196           197           198           199           200 
      1  -0.151116D+01 -0.702788D+01 -0.134489D+02  0.104408D+01  0.470426D+01
      2   0.333173D+00 -0.685531D+01 -0.125079D+02  0.559401D+00  0.222722D+00
      3   0.117799D+01  0.138832D+02  0.259569D+02 -0.160348D+01 -0.492698D+01
      4  -0.389855D-01 -0.240389D+01 -0.290872D+01  0.539525D+01  0.107470D+02
      5   0.562206D+01 -0.244615D+01 -0.449721D+01  0.384579D+01  0.977725D+00
      6   0.358086D+00  0.123313D+02  0.120158D+02  0.120072D+01  0.112216D+00
               201           202           203           204           205 
      1   0.550246D+01  0.158905D+02  0.407110D+01 -0.185445D+01  0.110973D+02
      2  -0.177004D+01 -0.498610D+01  0.895492D+01  0.208323D+01 -0.391861D+01
      3  -0.373242D+01 -0.109044D+02 -0.130260D+02 -0.228784D+00 -0.717871D+01
      4   0.175145D+01  0.176822D+02  0.410480D+02  0.682569D+01  0.280311D+01
      5   0.278736D+01 -0.243502D+00  0.660816D+01  0.748802D+01  0.453357D+01
      6  -0.462279D-01 -0.619981D+00 -0.178372D+00  0.383636D+01 -0.441402D+00
               206           207           208           209           210 
      1  -0.512614D+00 -0.828405D+00  0.612837D+02 -0.153731D+02  0.169213D+02
      2   0.116460D+01 -0.656818D+00 -0.304754D+02  0.699582D+01 -0.877402D+01
      3  -0.651986D+00  0.148522D+01 -0.308083D+02  0.837730D+01 -0.814724D+01
      4   0.787266D+01  0.428985D+01 -0.163697D+02  0.120680D+02 -0.463719D+01
      5   0.498763D+01  0.151826D+01  0.180209D+02 -0.473830D+01  0.148934D+02
      6   0.311071D+01  0.196113D+01 -0.463414D+00  0.501358D+00 -0.345530D+00
               211           212           213           214           215 
      1  -0.303648D+02  0.113429D+02 -0.638219D+01  0.318712D+02 -0.653474D+01
      2   0.141730D+02 -0.293433D+01  0.326691D+01 -0.165489D+02  0.324993D+01
      3   0.161918D+02 -0.840861D+01  0.311528D+01 -0.153223D+02  0.328482D+01
      4   0.166351D+02 -0.114651D+02  0.700030D+01 -0.795752D+01  0.968728D+01
      5  -0.785512D+01  0.684772D+01 -0.877416D+01  0.210001D+02 -0.619033D+01
      6   0.127285D+01 -0.122079D+01  0.170971D+01 -0.119050D+01  0.188082D+01
               216           217           218           219           220 
      1   0.149101D+02  0.169794D+02 -0.222846D+01 -0.103279D+02 -0.576250D+01
      2  -0.103945D+02 -0.118210D+02  0.112998D+01  0.825868D+01  0.334288D+01
      3  -0.451566D+01 -0.515841D+01  0.109848D+01  0.206925D+01  0.241962D+01
      4  -0.574350D+01 -0.145465D+01  0.369867D+01 -0.134564D+01  0.590710D+01
      5   0.123196D+02 -0.144584D+02 -0.886616D+00  0.180491D+02  0.511743D+00
      6  -0.169456D+01 -0.515738D+00 -0.103461D+01  0.901215D+00 -0.193470D+01
               221           222           223           224           225 
      1   0.212307D+01 -0.268640D+00 -0.227460D+02 -0.187513D+01  0.125293D+02
      2  -0.131225D+01 -0.192634D+00  0.178528D+02  0.101982D+01 -0.213238D+02
      3  -0.810816D+00  0.461274D+00  0.489329D+01  0.855302D+00  0.879457D+01
      4   0.172109D+01 -0.481454D+01 -0.227670D+01 -0.744531D+01  0.332204D-01
      5  -0.445735D+01 -0.230373D+01  0.307729D+02 -0.117336D+00 -0.475311D+02
      6   0.292934D+00  0.383219D+01  0.102725D+01  0.433315D+01 -0.262187D+01
               226           227           228           229           230 
      1  -0.145980D+02 -0.179011D+02  0.758912D-01 -0.131019D+02 -0.173862D+02
      2   0.139641D+02  0.220728D+02  0.692484D+00  0.144470D+02  0.243572D+02
      3   0.633876D+00 -0.417177D+01 -0.768376D+00 -0.134504D+01 -0.697094D+01
      4   0.116803D+02  0.341910D+00 -0.259465D+01  0.453111D+01  0.393837D-01
      5   0.573215D+01  0.762928D+00 -0.507243D+00  0.143496D+01  0.274735D+01
      6  -0.612696D+00  0.401967D+01  0.411913D+01  0.184041D+01  0.185377D+01
               231           232           233           234           235 
      1  -0.271617D+00  0.210481D+01  0.814093D+00 -0.330274D+01  0.377633D+01
      2  -0.933252D+00 -0.129267D+00 -0.381229D+01  0.162455D+01 -0.207148D+01
      3   0.120487D+01 -0.197554D+01  0.299820D+01  0.167819D+01 -0.170485D+01
      4   0.769614D+00 -0.214088D+01  0.314309D+01 -0.344088D+00 -0.718401D+01
      5  -0.973777D+00  0.121402D+01 -0.146490D+01 -0.167608D+01 -0.778701D+01
      6   0.409324D+01  0.170621D+01  0.387919D+01  0.138067D+01  0.414191D+01
               236           237           238           239           240 
      1  -0.279180D+01 -0.340945D+01 -0.783464D+00 -0.159578D+01 -0.315965D+01
      2   0.125852D+00  0.488038D+01 -0.797900D+00  0.102967D+01  0.311558D+01
      3   0.266595D+01 -0.147093D+01  0.158136D+01  0.566119D+00  0.440683D-01
      4   0.732026D+01  0.466304D+01  0.424756D+01 -0.230961D+01 -0.332452D+01
      5   0.308686D+01  0.114397D+02  0.356024D+00 -0.342168D+01 -0.237825D+01
      6  -0.216507D+01 -0.628573D+01 -0.136481D+01  0.352700D+01  0.723498D+01
               241           242           243           244           245 
      1  -0.428090D+01 -0.547601D+01 -0.854236D+01  0.237578D+02 -0.111340D+02
      2   0.604624D+01  0.457979D+01 -0.117507D+02  0.651971D+00 -0.852142D+01
      3  -0.176535D+01  0.896220D+00  0.202931D+02 -0.244098D+02  0.196554D+02
      4   0.820566D+01 -0.102673D+02 -0.131243D+02 -0.342118D+02  0.313361D+02
      5   0.152913D+02 -0.103655D+02 -0.334440D+02  0.525248D+01 -0.296173D+01
      6  -0.918837D+01  0.142421D+02  0.288649D+02 -0.487810D+01  0.328079D+01
               246           247           248           249           250 
      1   0.574955D+01 -0.845664D+01  0.292958D+01 -0.683909D+00  0.100785D+02
      2   0.575406D+00 -0.651327D+01  0.156706D+02 -0.429947D+01  0.765286D+00
      3  -0.632496D+01  0.149699D+02 -0.186002D+02  0.498338D+01 -0.108438D+02
      4  -0.790156D+01  0.237408D+02 -0.268561D+02  0.780826D+01 -0.158448D+02
      5   0.807820D+01 -0.244559D+01  0.494618D+01 -0.403676D+01  0.874752D+01
      6  -0.716676D+01  0.339721D+01 -0.496812D+01  0.528091D+01 -0.737442D+01
               251           252           253           254           255 
      1  -0.194545D+01  0.346408D+01 -0.102828D+02  0.107225D+02 -0.188172D+01
      2  -0.885765D+01 -0.177052D-01  0.436111D+01 -0.249312D+01  0.119584D+01
      3   0.108031D+02 -0.344637D+01  0.592164D+01 -0.822940D+01  0.685876D+00
      4   0.173517D+02 -0.101630D+02  0.135481D+02 -0.133175D+02 -0.851201D+00
      5  -0.686039D+01  0.545643D+01 -0.159488D+01 -0.658257D+00 -0.161975D+02
      6   0.735159D+01 -0.535033D+01  0.358952D+00 -0.255233D+00  0.182258D+01
               256           257           258           259           260 
      1  -0.423497D+01 -0.116809D+01 -0.201876D+01 -0.299859D+00 -0.677159D+00
      2  -0.379544D+00 -0.113460D+02  0.265082D-02 -0.201407D-01  0.183583D+01
      3   0.461452D+01  0.125141D+02  0.201611D+01  0.319999D+00 -0.115867D+01
      4  -0.279434D+02 -0.419213D+02  0.217434D+01  0.221442D+01  0.363435D+01
      5   0.128624D+01  0.196709D+01 -0.112633D+02  0.572032D+01 -0.486078D+01
      6  -0.983514D+00  0.670667D+00 -0.891566D+01  0.102956D+01  0.388207D+01
               261           262           263           264           265 
      1  -0.226876D+01 -0.251670D+02 -0.348503D+02  0.353251D+01 -0.513865D+02
      2  -0.632286D+01  0.169857D+02  0.157647D+02 -0.221723D+01  0.248029D+02
      3   0.859162D+01  0.818130D+01  0.190856D+02 -0.131528D+01  0.265836D+02
      4  -0.466352D+01 -0.381697D+02  0.653708D+01  0.121521D+01 -0.587430D+01
      5   0.344943D+01  0.354540D+01  0.107819D+01  0.529759D+01  0.125249D+01
      6   0.206651D+01 -0.106186D+01 -0.441866D+00 -0.215875D+01 -0.164949D+00
               266           267           268           269           270 
      1  -0.409625D+01  0.202661D+01  0.543228D+01  0.199837D+01  0.475706D+01
      2   0.352242D+01 -0.342287D+01 -0.193400D+01 -0.400930D+01 -0.516194D+01
      3   0.573829D+00  0.139627D+01 -0.349828D+01  0.201093D+01  0.404882D+00
      4   0.193579D+02  0.317588D+01  0.154694D+01  0.438273D+01  0.351026D+02
      5   0.354999D+01  0.299402D+02 -0.768526D+01  0.371240D+02 -0.822651D+01
      6  -0.189910D+01 -0.101482D+02  0.511044D+01 -0.139049D+02  0.275003D+01
               271           272           273           274           275 
      1   0.166906D+02  0.120332D+02 -0.162804D+01  0.400316D+02 -0.111969D+02
      2  -0.545196D+01 -0.388558D+01  0.590001D+00 -0.125444D+02  0.329300D+02
      3  -0.112386D+02 -0.814761D+01  0.103804D+01 -0.274872D+02 -0.217331D+02
      4   0.184930D+02  0.203040D+02 -0.402714D+00  0.356001D+02  0.744394D+02
      5  -0.121099D+01 -0.358484D+00  0.102116D+02 -0.272077D+00 -0.298945D+01
      6  -0.246140D+00  0.157437D+00  0.583505D+00  0.937471D+00 -0.335365D+00
               276           277           278           279           280 
      1   0.184351D+01 -0.354874D+01  0.105257D+01 -0.759474D-01  0.689644D+01
      2  -0.963964D+00  0.172675D+01 -0.147972D+01  0.823258D+00 -0.420208D+01
      3  -0.879542D+00  0.182199D+01  0.427142D+00 -0.747310D+00 -0.269436D+01
      4  -0.302742D+01 -0.145812D+01 -0.431024D+01  0.163872D+02 -0.155434D+01
      5   0.171000D+02  0.133189D+02  0.154305D+02 -0.429553D+01  0.656720D+01
      6   0.148329D+02  0.338156D+01  0.114331D+02 -0.208091D+01 -0.290654D+01
               281           282           283           284           285 
      1  -0.213576D+01  0.721058D+01 -0.816077D+01  0.305757D+00  0.178413D+01
      2   0.117621D+01 -0.331897D+01  0.293188D+01  0.441565D+01 -0.200551D+01
      3   0.959547D+00 -0.389161D+01  0.522889D+01 -0.472140D+01  0.221388D+00
      4   0.218286D+01 -0.310816D+01  0.139407D+02 -0.275988D+02  0.148936D+02
      5  -0.256859D+01  0.421538D+01 -0.642065D+01  0.153432D+02 -0.210570D+02
      6   0.182574D+00 -0.195198D+00  0.298999D+01 -0.892058D+01  0.105075D+02
               286           287           288           289           290 
      1   0.183550D+02 -0.238322D+00 -0.222102D+01  0.966309D+02  0.188618D+02
      2  -0.102343D+02 -0.809423D+00 -0.479272D+01 -0.513645D+02 -0.108609D+02
      3  -0.812070D+01  0.104775D+01  0.701374D+01 -0.452664D+02 -0.800086D+01
      4  -0.122512D+02  0.211141D+02 -0.224324D+02  0.137863D+02  0.143947D+02
      5   0.166024D+02 -0.238578D+02  0.397515D+02 -0.150960D+01 -0.308995D+00
      6  -0.502891D+01  0.121345D+02 -0.142680D+02  0.819706D+00  0.325565D+00
               291           292           293           294           295 
      1  -0.236270D+01  0.412959D+02  0.146001D+02 -0.830456D+00 -0.510039D+01
      2   0.118336D+01 -0.219372D+02 -0.704037D+01  0.635685D+00  0.268141D+01
      3   0.117934D+01 -0.193587D+02 -0.755970D+01  0.194771D+00  0.241898D+01
      4  -0.352321D+00  0.160521D+02  0.137648D+02 -0.965923D+00 -0.417326D+00
      5   0.132219D+02 -0.450415D+00 -0.896157D+00  0.448728D+01  0.132695D+02
      6  -0.728309D+00  0.396625D+00  0.409155D+00  0.179153D+01 -0.195625D+00
               296           297           298           299           300 
      1  -0.761682D+00  0.916399D+01  0.568099D+01 -0.304549D+01 -0.665260D+01
      2   0.770518D+00 -0.558268D+01 -0.254316D+01  0.179134D+01  0.300507D+01
      3  -0.883539D-02 -0.358131D+01 -0.313783D+01  0.125416D+01  0.364753D+01
      4  -0.148880D+01 -0.275906D+00 -0.176687D+01  0.176344D+01  0.240206D+01
      5   0.847334D-01 -0.865899D+00 -0.565521D+01  0.173822D+01  0.217830D+01
      6   0.253020D+01 -0.170497D+00  0.296455D+01  0.254442D+00  0.293311D+00
               301           302           303           304           305 
      1  -0.102867D+02 -0.956034D+00 -0.298017D+01 -0.169466D+02 -0.910828D+00
      2   0.321822D+01  0.902904D+01  0.474565D+01  0.809614D+01  0.414297D+01
      3   0.706844D+01 -0.807300D+01 -0.176548D+01  0.885042D+01 -0.323214D+01
      4   0.155870D+02 -0.353559D+02 -0.160385D+02  0.110931D+02 -0.231744D+02
      5   0.496186D+01 -0.169127D+02 -0.208417D+02  0.123722D+02 -0.232127D+02
      6  -0.268700D+01  0.984404D+01  0.997465D+01 -0.427022D+01  0.117551D+02
               306 
      1  -0.254610D+01
      2  -0.384334D+00
      3   0.293043D+01
      4  -0.216982D+02
      5  -0.285365D+02
      6   0.115573D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.792518D+00      0.201438D+01      0.671925D+01
   x         -0.399882D+00     -0.101640D+01     -0.339034D+01
   y         -0.682884D+00     -0.173572D+01     -0.578973D+01
   z          0.429923D-01      0.109275D+00      0.364504D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139650D+03      0.206939D+02      0.230251D+02
   aniso      0.286901D+02      0.425143D+01      0.473036D+01
   xx         0.158276D+03      0.234541D+02      0.260962D+02
   yx        -0.240980D+01     -0.357096D+00     -0.397323D+00
   yy         0.133105D+03      0.197241D+02      0.219461D+02
   zx        -0.747736D+00     -0.110803D+00     -0.123285D+00
   zy        -0.361990D+00     -0.536414D-01     -0.596841D-01
   zz         0.127568D+03      0.189036D+02      0.210331D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.142262D+03      0.210811D+02      0.234559D+02
   aniso      0.282225D+02      0.418215D+01      0.465327D+01
   xx         0.160611D+03      0.238002D+02      0.264813D+02
   yx        -0.187265D+01     -0.277499D+00     -0.308759D+00
   yy         0.136043D+03      0.201595D+02      0.224305D+02
   zx        -0.757708D+00     -0.112281D+00     -0.124929D+00
   zy        -0.409959D+00     -0.607496D-01     -0.675931D-01
   zz         0.130132D+03      0.192836D+02      0.214559D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.34695539         -2.31069830          3.00693544
     6          0.03945243         -0.67474234          3.50351449
     6         -3.51318183         -1.05140682          0.65840305
     6         -1.76681862         -1.66169624         -1.58772636
     6          0.53733811          0.07168775         -1.10622672
     6         -0.05989549          1.37756853          1.42362544
     1         -3.63933844         -2.27305025          4.60982776
     1         -1.88515324         -4.28626128          2.64759821
     1          1.78335553         -1.75617724          3.39220290
     1         -0.01086082          0.20118038          5.36677333
     6         -2.97942034          1.79879542          1.12318670
     1         -5.49063769         -1.53145194          0.33654259
     1         -2.62723785         -1.25132595         -3.40940302
     1         -1.20422537         -3.64270666         -1.61150070
     1          0.76715778          1.44793784         -2.61387263
     8          2.90101757         -1.28117164         -0.91875038
     6          1.56922386          3.67089415          1.94901378
     6         -4.25097632          2.86656971          3.49082437
     6         -3.73912729          3.51006932         -1.08623449
     1          3.55697880          3.13338197          2.08104736
     1          1.04425832          4.56627264          3.73147236
     1          1.39916625          5.07814373          0.44897471
     1         -3.77933215          1.84906818          5.21222330
     1         -6.30279431          2.80858322          3.27245649
     1         -3.71932848          4.84102964          3.76701742
     1         -2.99857373          2.90837450         -2.90629655
     1         -3.09662191          5.44331854         -0.75827108
     1         -5.79583413          3.56853285         -1.24864692
     6          3.96889239         -2.01437686         -3.10785903
     6          6.42230969         -3.37242435         -2.63578167
     8          3.05601585         -1.62477918         -5.15752291
     1          7.70758109         -2.16007553         -1.57472492
     1          7.27041796         -3.90321399         -4.42796785
     1          6.07971368         -5.05539624         -1.49529810

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.792518D+00      0.201438D+01      0.671925D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.792518D+00      0.201438D+01      0.671925D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139650D+03      0.206939D+02      0.230251D+02
   aniso      0.286901D+02      0.425143D+01      0.473036D+01
   xx         0.147263D+03      0.218221D+02      0.242804D+02
   yx        -0.114901D+02     -0.170266D+01     -0.189447D+01
   yy         0.134209D+03      0.198878D+02      0.221281D+02
   zx        -0.838645D+01     -0.124274D+01     -0.138274D+01
   zy         0.508694D+01      0.753806D+00      0.838722D+00
   zz         0.137477D+03      0.203719D+02      0.226668D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.142262D+03      0.210811D+02      0.234559D+02
   aniso      0.282225D+02      0.418215D+01      0.465327D+01
   xx         0.149435D+03      0.221441D+02      0.246386D+02
   yx        -0.112468D+02     -0.166660D+01     -0.185434D+01
   yy         0.136619D+03      0.202449D+02      0.225255D+02
   zx        -0.838115D+01     -0.124196D+01     -0.138187D+01
   zy         0.509412D+01      0.754870D+00      0.839906D+00
   zz         0.140732D+03      0.208544D+02      0.232036D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-11\Freq\RwB97XD\Gen\C12H20O2\PIERPA\22-Jul-2021\0\\#P
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 56663,2.148773\C,-3.263934,-0.215407,0.272245\C,-1.976808,1.860613,0.5
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 22861,-0.308315\H,-3.555175,-0.148366,1.322428\H,-1.062281,2.434735,0.
 442068\H,-2.228382,1.873406,1.633417\H,-2.771733,2.392658,0.043778\C,2
 .862479,0.235712,0.052007\C,4.017566,-0.72749,0.101407\O,2.958317,1.43
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 \HF=-620.089649\RMSD=6.686e-09\RMSF=1.285e-05\ZeroPoint=0.3023462\Ther
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 0.0445806,-0.057386,0.9337517,-0.0464471,0.0731825,-0.2998242,0.228819
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 08064,-0.0029483,0.0149785,-0.036711,0.0642316,0.1389099,0.0229902,0.0
 184508,-0.0278532,0.0656739,-0.0428593,-0.0976292,-0.0519708,0.1272928
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 1152248,0.0222736,-0.0170642,0.0392772,-0.0072428,-0.0647917,0.0548367
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 93414,0.0830422,0.0508812,-0.2515665,0.0595964,0.0149611,-0.0183545,-0
 .0027556,0.0752109,0.024825,-0.0090849,0.0193978,-0.0118834,-0.0170352
 ,-0.0548816,0.0223645,-0.0241079,0.0239172,-0.0062689,0.0183402,-0.006
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 0.0908428,0.0050291,0.0498345,-0.0389071,0.014689,0.0221549,-0.0787742
 ,-0.0986354,0.0878449,-0.0865899,0.0068664,0.0419943,0.0336406,0.01462
 51,0.0151908,0.0628648,-0.0107487,0.0075044,-0.0102332,-0.0921928,-0.1
 241517,-0.0017441,-0.0550917,-0.0258966,0.063481,-0.0041567,-0.0017708
 ,-0.0474206,-0.1278983,-0.0440373,-0.0115225,-0.0491217,0.048047,-0.07
 93058,0.047302,-0.0441205,0.0968851,0.0057535,0.0609799,-0.105953,0.05
 80371,-0.0010758,0.0193851,-0.0060416,0.030284,-0.0067735,0.0556695,-0
 .0230201,0.1035924,-0.0085613,-0.1379292,-0.0722478,-0.1123988,0.00879
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 EVERYTHING'S GOT A MORAL, IF ONLY YOU CAN FIND IT.

                                    -- LEWIS CARROL, ALICE IN WONDERLAND
 Job cpu time:       0 days 10 hours 32 minutes 11.5 seconds.
 Elapsed time:       0 days  0 hours 52 minutes 49.9 seconds.
 File lengths (MBytes):  RWF=    587 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 20:54:01 2021.
